4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide

C27H25N3O7S2 — CID 126415575

IUPAC4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)c(OC)c1
InChIInChI=1S/C27H25N3O7S2/c1-36-22-14-17-25(26(18-22)37-2)30-39(34,35)24-15-12-20(13-16-24)28-27(31)19-8-10-21(11-9-19)29-38(32,33)23-6-4-3-5-7-23/h3-18,29-30H,1-2H3,(H,28,31)
InChIKeyUZZNNRYVHPWWAT-UHFFFAOYSA-N
MW567.65 g/mol
LogP4.56
Rot. Bonds10

About 4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide

4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 126415575) has the molecular formula C27H25N3O7S2 and a molecular weight of 567.65 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID126415575
Molecular FormulaC27H25N3O7S2
Molecular Weight567.65 g/mol
Exact Mass567.11
IUPAC Name4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)c(OC)c1
InChIInChI=1S/C27H25N3O7S2/c1-36-22-14-17-25(26(18-22)37-2)30-39(34,35)24-15-12-20(13-16-24)28-27(31)19-8-10-21(11-9-19)29-38(32,33)23-6-4-3-5-7-23/h3-18,29-30H,1-2H3,(H,28,31)
InChIKeyUZZNNRYVHPWWAT-UHFFFAOYSA-N
XLogP4.56
TPSA139.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.65
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide with MolForge

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Related Compounds

4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755
4-[benzenesulfonyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43882282
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43915643

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide (CID 126415575) is 4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)c(OC)c1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is UZZNNRYVHPWWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O7S2/c1-36-22-14-17-25(26(18-22)37-2)30-39(34,35)24-15-12-20(13-16-24)28-27(31)19-8-10-21(11-9-19)29-38(32,33)23-6-4-3-5-7-23/h3-18,29-30H,1-2H3,(H,28,31).
What are the key properties of 4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 567.65 g/mol, XLogP of 4.56, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 126415575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).