N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide

C23H25N3O7S2 — CID 2198525

IUPACN-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)c(OC)c1
InChIInChI=1S/C23H25N3O7S2/c1-26(34(4,28)29)18-9-5-16(6-10-18)23(27)24-17-7-12-20(13-8-17)35(30,31)25-21-14-11-19(32-2)15-22(21)33-3/h5-15,25H,1-4H3,(H,24,27)
InChIKeyKCKUFHPOVUCTLK-UHFFFAOYSA-N
MW519.60 g/mol
LogP3.15
Rot. Bonds9

About N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide

N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 2198525) has the molecular formula C23H25N3O7S2 and a molecular weight of 519.60 g/mol. Its IUPAC name is N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID2198525
Molecular FormulaC23H25N3O7S2
Molecular Weight519.60 g/mol
Exact Mass519.11
IUPAC NameN-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)c(OC)c1
InChIInChI=1S/C23H25N3O7S2/c1-26(34(4,28)29)18-9-5-16(6-10-18)23(27)24-17-7-12-20(13-8-17)35(30,31)25-21-14-11-19(32-2)15-22(21)33-3/h5-15,25H,1-4H3,(H,24,27)
InChIKeyKCKUFHPOVUCTLK-UHFFFAOYSA-N
XLogP3.15
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide (CID 2198525) is N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)c(OC)c1.
What is the InChIKey of N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is KCKUFHPOVUCTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O7S2/c1-26(34(4,28)29)18-9-5-16(6-10-18)23(27)24-17-7-12-20(13-8-17)35(30,31)25-21-14-11-19(32-2)15-22(21)33-3/h5-15,25H,1-4H3,(H,24,27).
What are the key properties of N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide?
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 519.60 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 2198525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).