4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide

C24H25N3O3S — CID 100502974

IUPAC4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C24H25N3O3S/c1-18-9-10-19(17-23(18)31(29,30)26-21-7-3-2-4-8-21)24(28)25-20-11-13-22(14-12-20)27-15-5-6-16-27/h2-4,7-14,17,26H,5-6,15-16H2,1H3,(H,25,28)
InChIKeyCBXSXUMSLQUOLE-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.65
Rot. Bonds6

About 4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide

4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 100502974) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID100502974
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C24H25N3O3S/c1-18-9-10-19(17-23(18)31(29,30)26-21-7-3-2-4-8-21)24(28)25-20-11-13-22(14-12-20)27-15-5-6-16-27/h2-4,7-14,17,26H,5-6,15-16H2,1H3,(H,25,28)
InChIKeyCBXSXUMSLQUOLE-UHFFFAOYSA-N
XLogP4.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503088
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
4-[[3-[(4-chlorophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1144112
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 100502974) is 4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is CBXSXUMSLQUOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-18-9-10-19(17-23(18)31(29,30)26-21-7-3-2-4-8-21)24(28)25-20-11-13-22(14-12-20)27-15-5-6-16-27/h2-4,7-14,17,26H,5-6,15-16H2,1H3,(H,25,28).
What are the key properties of 4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 435.55 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 100502974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).