5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide

C23H28ClN3O4S2 — CID 91548286

IUPAC5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
SMILESO=C(CNc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1)N1CCOCC1
InChIInChI=1S/C23H28ClN3O4S2/c24-20-5-6-22(32-20)33(29,30)26-23-16-1-2-17(23)12-18-13-19(4-3-15(18)11-16)25-14-21(28)27-7-9-31-10-8-27/h3-6,13,16-17,23,25-26H,1-2,7-12,14H2
InChIKeySXDWUIGJNUQOPU-UHFFFAOYSA-N
MW510.08 g/mol
LogP3.14
Rot. Bonds6

About 5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide

5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide (PubChem CID 91548286) has the molecular formula C23H28ClN3O4S2 and a molecular weight of 510.08 g/mol. Its IUPAC name is 5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
PubChem CID91548286
Molecular FormulaC23H28ClN3O4S2
Molecular Weight510.08 g/mol
Exact Mass509.12
IUPAC Name5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
SMILESO=C(CNc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1)N1CCOCC1
InChIInChI=1S/C23H28ClN3O4S2/c24-20-5-6-22(32-20)33(29,30)26-23-16-1-2-17(23)12-18-13-19(4-3-15(18)11-16)25-14-21(28)27-7-9-31-10-8-27/h3-6,13,16-17,23,25-26H,1-2,7-12,14H2
InChIKeySXDWUIGJNUQOPU-UHFFFAOYSA-N
XLogP3.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.08
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-N-[5-[2-(4-fluoroanilino)ethylamino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 59701800
N-[(1S,10R,13R)-13-[(5-chlorothiophen-2-yl)sulfonylamino]-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]-2-[[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]acetamide
CID 46830032
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide
CID 59701874
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4009166
5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 119624431
1-morpholin-4-yl-2-(3-piperidin-1-ylsulfonylanilino)ethanone
CID 55345366
2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
CID 28579517
5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 137417792
5-chloro-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 60894936
N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide
CID 22204431

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide (CID 91548286) is 5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide is O=C(CNc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1)N1CCOCC1.
What is the InChIKey of 5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide?
The InChIKey is SXDWUIGJNUQOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S2/c24-20-5-6-22(32-20)33(29,30)26-23-16-1-2-17(23)12-18-13-19(4-3-15(18)11-16)25-14-21(28)27-7-9-31-10-8-27/h3-6,13,16-17,23,25-26H,1-2,7-12,14H2.
What are the key properties of 5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide?
5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide has a molecular weight of 510.08 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide is sourced from PubChem (CID 91548286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).