3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride

C109H124Br3Cl2N5O14S11 — CID 159517501

IUPAC3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
SMILESCCCCC(CC)COC(=O)CCSc1cccc(S(=O)(=O)N2CCCC2c2ccccc2)c1.CCc1ccc(Br)s1.CCc1ccc(Sc2cccc(S(=O)(=O)N3CCCC3c3ccccc3)c2)s1.Cl.NCc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3c3ccccc3)c2)s1.O=S(=O)(Cl)c1cccc(Br)c1.O=S(=O)(c1cccc(Br)c1)N1CCCC1c1ccccc1.c1ccc(C2CCCC2)cc1
InChIInChI=1S/C27H37NO4S2.C22H23NO2S3.C21H22N2O4S3.C16H16BrNO2S.C11H14.C6H4BrClO2S.C6H7BrS.ClH/c1-3-5-11-22(4-2)21-32-27(29)17-19-33-24-14-9-15-25(20-24)34(30,31)28-18-10-16-26(28)23-12-7-6-8-13-23;1-2-18-13-14-22(26-18)27-19-10-6-11-20(16-19)28(24,25)23-15-7-12-21(23)17-8-4-3-5-9-17;22-15-17-11-12-21(28-17)29(24,25)18-8-4-9-19(14-18)30(26,27)23-13-5-10-20(23)16-6-2-1-3-7-16;17-14-8-4-9-15(12-14)21(19,20)18-11-5-10-16(18)13-6-2-1-3-7-13;1-2-6-10(7-3-1)11-8-4-5-9-11;7-5-2-1-3-6(4-5)11(8,9)10;1-2-5-3-4-6(7)8-5;/h6-9,12-15,20,22,26H,3-5,10-11,16-19,21H2,1-2H3;3-6,8-11,13-14,16,21H,2,7,12,15H2,1H3;1-4,6-9,11-12,14,20H,5,10,13,15,22H2;1-4,6-9,12,16H,5,10-11H2;1-3,6-7,11H,4-5,8-9H2;1-4H;3-4H,2H2,1H3;1H
InChIKeyWCIWANDSJPVYSU-UHFFFAOYSA-N
MW2391.57 g/mol
LogP29.20
Rot. Bonds31

About 3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride

3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride (PubChem CID 159517501) has the molecular formula C109H124Br3Cl2N5O14S11 and a molecular weight of 2391.57 g/mol. Its IUPAC name is 3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
PubChem CID159517501
Molecular FormulaC109H124Br3Cl2N5O14S11
Molecular Weight2391.57 g/mol
Exact Mass2385.30
IUPAC Name3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
SMILESCCCCC(CC)COC(=O)CCSc1cccc(S(=O)(=O)N2CCCC2c2ccccc2)c1.CCc1ccc(Br)s1.CCc1ccc(Sc2cccc(S(=O)(=O)N3CCCC3c3ccccc3)c2)s1.Cl.NCc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3c3ccccc3)c2)s1.O=S(=O)(Cl)c1cccc(Br)c1.O=S(=O)(c1cccc(Br)c1)N1CCCC1c1ccccc1.c1ccc(C2CCCC2)cc1
InChIInChI=1S/C27H37NO4S2.C22H23NO2S3.C21H22N2O4S3.C16H16BrNO2S.C11H14.C6H4BrClO2S.C6H7BrS.ClH/c1-3-5-11-22(4-2)21-32-27(29)17-19-33-24-14-9-15-25(20-24)34(30,31)28-18-10-16-26(28)23-12-7-6-8-13-23;1-2-18-13-14-22(26-18)27-19-10-6-11-20(16-19)28(24,25)23-15-7-12-21(23)17-8-4-3-5-9-17;22-15-17-11-12-21(28-17)29(24,25)18-8-4-9-19(14-18)30(26,27)23-13-5-10-20(23)16-6-2-1-3-7-16;17-14-8-4-9-15(12-14)21(19,20)18-11-5-10-16(18)13-6-2-1-3-7-13;1-2-6-10(7-3-1)11-8-4-5-9-11;7-5-2-1-3-6(4-5)11(8,9)10;1-2-5-3-4-6(7)8-5;/h6-9,12-15,20,22,26H,3-5,10-11,16-19,21H2,1-2H3;3-6,8-11,13-14,16,21H,2,7,12,15H2,1H3;1-4,6-9,11-12,14,20H,5,10,13,15,22H2;1-4,6-9,12,16H,5,10-11H2;1-3,6-7,11H,4-5,8-9H2;1-4H;3-4H,2H2,1H3;1H
InChIKeyWCIWANDSJPVYSU-UHFFFAOYSA-N
XLogP29.20
TPSA270.12 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002391.57
LogP ≤ 529.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride?
The IUPAC name of 3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride (CID 159517501) is 3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride.
What is the SMILES notation for 3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride?
The canonical SMILES for 3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride is CCCCC(CC)COC(=O)CCSc1cccc(S(=O)(=O)N2CCCC2c2ccccc2)c1.CCc1ccc(Br)s1.CCc1ccc(Sc2cccc(S(=O)(=O)N3CCCC3c3ccccc3)c2)s1.Cl.NCc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3c3ccccc3)c2)s1.O=S(=O)(Cl)c1cccc(Br)c1.O=S(=O)(c1cccc(Br)c1)N1CCCC1c1ccccc1.c1ccc(C2CCCC2)cc1.
What is the InChIKey of 3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride?
The InChIKey is WCIWANDSJPVYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO4S2.C22H23NO2S3.C21H22N2O4S3.C16H16BrNO2S.C11H14.C6H4BrClO2S.C6H7BrS.ClH/c1-3-5-11-22(4-2)21-32-27(29)17-19-33-24-14-9-15-25(20-24)34(30,31)28-18-10-16-26(28)23-12-7-6-8-13-23;1-2-18-13-14-22(26-18)27-19-10-6-11-20(16-19)28(24,25)23-15-7-12-21(23)17-8-4-3-5-9-17;22-15-17-11-12-21(28-17)29(24,25)18-8-4-9-19(14-18)30(26,27)23-13-5-10-20(23)16-6-2-1-3-7-16;17-14-8-4-9-15(12-14)21(19,20)18-11-5-10-16(18)13-6-2-1-3-7-13;1-2-6-10(7-3-1)11-8-4-5-9-11;7-5-2-1-3-6(4-5)11(8,9)10;1-2-5-3-4-6(7)8-5;/h6-9,12-15,20,22,26H,3-5,10-11,16-19,21H2,1-2H3;3-6,8-11,13-14,16,21H,2,7,12,15H2,1H3;1-4,6-9,11-12,14,20H,5,10,13,15,22H2;1-4,6-9,12,16H,5,10-11H2;1-3,6-7,11H,4-5,8-9H2;1-4H;3-4H,2H2,1H3;1H.
What are the key properties of 3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride?
3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride has a molecular weight of 2391.57 g/mol, XLogP of 29.20, 31 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 159517501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).