4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C24H25N3O5S2 — CID 1296255

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O5S2/c1-26(33(29,30)22-7-3-2-4-8-22)21-13-9-19(10-14-21)24(28)25-20-11-15-23(16-12-20)34(31,32)27-17-5-6-18-27/h2-4,7-16H,5-6,17-18H2,1H3,(H,25,28)
InChIKeyZEFJTPNYHVTZTH-UHFFFAOYSA-N
MW499.61 g/mol
LogP3.55
Rot. Bonds7

About 4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 1296255) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID1296255
Molecular FormulaC24H25N3O5S2
Molecular Weight499.61 g/mol
Exact Mass499.12
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O5S2/c1-26(33(29,30)22-7-3-2-4-8-22)21-13-9-19(10-14-21)24(28)25-20-11-15-23(16-12-20)34(31,32)27-17-5-6-18-27/h2-4,7-16H,5-6,17-18H2,1H3,(H,25,28)
InChIKeyZEFJTPNYHVTZTH-UHFFFAOYSA-N
XLogP3.55
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(phenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849780
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92642400
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2979059
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 126190223
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-[benzenesulfonyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43882282

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 1296255) is 4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is ZEFJTPNYHVTZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S2/c1-26(33(29,30)22-7-3-2-4-8-22)21-13-9-19(10-14-21)24(28)25-20-11-15-23(16-12-20)34(31,32)27-17-5-6-18-27/h2-4,7-16H,5-6,17-18H2,1H3,(H,25,28).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 499.61 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1296255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).