4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide

C15H16N4O4S — CID 108875346

IUPAC4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N4O4S/c1-24(22,23)19-13-8-6-12(7-9-13)17-15(21)18-14(20)10-2-4-11(16)5-3-10/h2-9,19H,16H2,1H3,(H2,17,18,20,21)
InChIKeyTUQMFWKHBCTWMH-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.60
Rot. Bonds4

About 4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide

4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide (PubChem CID 108875346) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide
PubChem CID108875346
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N4O4S/c1-24(22,23)19-13-8-6-12(7-9-13)17-15(21)18-14(20)10-2-4-11(16)5-3-10/h2-9,19H,16H2,1H3,(H2,17,18,20,21)
InChIKeyTUQMFWKHBCTWMH-UHFFFAOYSA-N
XLogP1.60
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide
CID 108884186
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide
CID 70307077
N-[(4-aminophenyl)carbamothioyl]-4-methylbenzamide
CID 87562968
N-(4-aminophenyl)-4-[(2-methylsulfonylethylamino)methyl]benzamide
CID 90104457
1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875405
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide
CID 47438805

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide?
The IUPAC name of 4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide (CID 108875346) is 4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide?
The canonical SMILES for 4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide is CS(=O)(=O)Nc1ccc(NC(=O)NC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide?
The InChIKey is TUQMFWKHBCTWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-24(22,23)19-13-8-6-12(7-9-13)17-15(21)18-14(20)10-2-4-11(16)5-3-10/h2-9,19H,16H2,1H3,(H2,17,18,20,21).
What are the key properties of 4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide?
4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide has a molecular weight of 348.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 108875346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).