2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide

C19H16ClN3O3S — CID 15979284

IUPAC2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide
SMILESNC(=O)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C19H16ClN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(H2,23,25,26)
InChIKeyXJLFMRGTLRIXDT-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.00
Rot. Bonds4

About 2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide

2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide (PubChem CID 15979284) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide
PubChem CID15979284
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide
SMILESNC(=O)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C19H16ClN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(H2,23,25,26)
InChIKeyXJLFMRGTLRIXDT-UHFFFAOYSA-N
XLogP3.00
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Amino-substituted diarylbenzamide, 8r
CID 16047031
2-Amino-3-{4-[(2-aminoethyl)sulfamoyl]phenyl}-5-phenylbenzamide
CID 16047740
2-Amino-5-(4-fluorophenyl)-3-(4-sulfamoylphenyl)benzamide
CID 16047856
2-Azanyl-5-Phenyl-3-(4-Sulfamoylphenyl)benzamide
CID 16048085
2-Amino-5-(4-chlorophenyl)-3-(4-methanesulfonamidophenyl)benzamide
CID 16048308
2-Amino-5-phenyl-3-(3-sulfamoylphenyl)benzamide
CID 16048544
2-Amino-3-{4-[(3-methoxypropyl)sulfamoyl]phenyl}-5-phenylbenzamide
CID 16047851
2-Amino-3-[4-(cyclopropylsulfamoyl)phenyl]-5-phenylbenzamide
CID 16047853
2-Amino-3-(4-{[3-(dimethylamino)propyl]sulfamoyl}phenyl)-5-phenylbenzamide
CID 16047973
Benzenesulfonamide, N-(2-benzoyl-4-chlorophenyl)-4-methyl-
CID 1047653
2-Amino-5-(4-carbamoylphenyl)-3-(4-sulfamoylphenyl)benzamide
CID 16047143
2-Amino-5-phenyl-3-[4-(sulfamoylmethyl)phenyl]benzamide
CID 16048414

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide (CID 15979284) is 2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide is NC(=O)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1N.
What is the InChIKey of 2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide?
The InChIKey is XJLFMRGTLRIXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(H2,23,25,26).
What are the key properties of 2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide?
2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide has a molecular weight of 401.88 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 15979284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).