N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide

C61H49BrF3N3O13S3 — CID 162220980

IUPACN-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1.COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2ccc(F)cc2F)cc1.COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C21H18BrNO5S.C20H15F2NO4S.C20H16FNO4S/c1-27-18-11-9-17(10-12-18)23(21(24)15-6-4-3-5-7-15)29(25,26)20-14-16(22)8-13-19(20)28-2;1-27-17-10-8-16(9-11-17)23(20(24)14-5-3-2-4-6-14)28(25,26)19-12-7-15(21)13-18(19)22;1-26-18-12-10-17(11-13-18)22(20(23)15-6-3-2-4-7-15)27(24,25)19-9-5-8-16(21)14-19/h3-14H,1-2H3;2-13H,1H3;2-14H,1H3
InChIKeyZUCPZMQQSHDVLK-UHFFFAOYSA-N
MW1265.17 g/mol
LogP12.38
Rot. Bonds16

About N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide

N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide (PubChem CID 162220980) has the molecular formula C61H49BrF3N3O13S3 and a molecular weight of 1265.17 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide
PubChem CID162220980
Molecular FormulaC61H49BrF3N3O13S3
Molecular Weight1265.17 g/mol
Exact Mass1263.16
IUPAC NameN-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1.COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2ccc(F)cc2F)cc1.COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C21H18BrNO5S.C20H15F2NO4S.C20H16FNO4S/c1-27-18-11-9-17(10-12-18)23(21(24)15-6-4-3-5-7-15)29(25,26)20-14-16(22)8-13-19(20)28-2;1-27-17-10-8-16(9-11-17)23(20(24)14-5-3-2-4-6-14)28(25,26)19-12-7-15(21)13-18(19)22;1-26-18-12-10-17(11-13-18)22(20(23)15-6-3-2-4-7-15)27(24,25)19-9-5-8-16(21)14-19/h3-14H,1-2H3;2-13H,1H3;2-14H,1H3
InChIKeyZUCPZMQQSHDVLK-UHFFFAOYSA-N
XLogP12.38
TPSA200.27 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001265.17
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide (CID 162220980) is N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide is COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1.COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2ccc(F)cc2F)cc1.COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide?
The InChIKey is ZUCPZMQQSHDVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO5S.C20H15F2NO4S.C20H16FNO4S/c1-27-18-11-9-17(10-12-18)23(21(24)15-6-4-3-5-7-15)29(25,26)20-14-16(22)8-13-19(20)28-2;1-27-17-10-8-16(9-11-17)23(20(24)14-5-3-2-4-6-14)28(25,26)19-12-7-15(21)13-18(19)22;1-26-18-12-10-17(11-13-18)22(20(23)15-6-3-2-4-7-15)27(24,25)19-9-5-8-16(21)14-19/h3-14H,1-2H3;2-13H,1H3;2-14H,1H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide?
N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide has a molecular weight of 1265.17 g/mol, XLogP of 12.38, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide;N-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 162220980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).