4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide

C40H34N4O8S2 — CID 121043668

IUPAC4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c(OC)c2)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C40H34N4O8S2/c1-51-37-25-29(17-23-35(37)41-39(45)27-13-19-31(20-14-27)43-53(47,48)33-9-5-3-6-10-33)30-18-24-36(38(26-30)52-2)42-40(46)28-15-21-32(22-16-28)44-54(49,50)34-11-7-4-8-12-34/h3-26,43-44H,1-2H3,(H,41,45)(H,42,46)
InChIKeySUHMTLUBZWKGBB-UHFFFAOYSA-N
MW762.87 g/mol
LogP7.48
Rot. Bonds13

About 4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide

4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide (PubChem CID 121043668) has the molecular formula C40H34N4O8S2 and a molecular weight of 762.87 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
PubChem CID121043668
Molecular FormulaC40H34N4O8S2
Molecular Weight762.87 g/mol
Exact Mass762.18
IUPAC Name4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c(OC)c2)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C40H34N4O8S2/c1-51-37-25-29(17-23-35(37)41-39(45)27-13-19-31(20-14-27)43-53(47,48)33-9-5-3-6-10-33)30-18-24-36(38(26-30)52-2)42-40(46)28-15-21-32(22-16-28)44-54(49,50)34-11-7-4-8-12-34/h3-26,43-44H,1-2H3,(H,41,45)(H,42,46)
InChIKeySUHMTLUBZWKGBB-UHFFFAOYSA-N
XLogP7.48
TPSA169.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.87
LogP ≤ 57.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 26979377
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755
4-[(4-ethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 7516537
4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 43981188
4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16803056
N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2553216
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methoxynaphthalen-1-yl)benzamide
CID 121044893
N-(2-methoxy-5-nitrophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1251026

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide (CID 121043668) is 4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide is COc1cc(-c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c(OC)c2)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide?
The InChIKey is SUHMTLUBZWKGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N4O8S2/c1-51-37-25-29(17-23-35(37)41-39(45)27-13-19-31(20-14-27)43-53(47,48)33-9-5-3-6-10-33)30-18-24-36(38(26-30)52-2)42-40(46)28-15-21-32(22-16-28)44-54(49,50)34-11-7-4-8-12-34/h3-26,43-44H,1-2H3,(H,41,45)(H,42,46).
What are the key properties of 4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide?
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide has a molecular weight of 762.87 g/mol, XLogP of 7.48, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide is sourced from PubChem (CID 121043668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).