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

C21H20ClN3O4S — CID 135369976

IUPAC5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide
SMILESNC(=O)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1NCCO
InChIInChI=1S/C21H20ClN3O4S/c22-16-5-1-13(2-6-16)15-11-18(14-3-7-17(8-4-14)30(24,28)29)20(25-9-10-26)19(12-15)21(23)27/h1-8,11-12,25-26H,9-10H2,(H2,23,27)(H2,24,28,29)
InChIKeyYNQZLLCNTSWNDL-UHFFFAOYSA-N
MW445.93 g/mol
LogP2.82
Rot. Bonds7

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

5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide (PubChem CID 135369976) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide
PubChem CID135369976
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide
SMILESNC(=O)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1NCCO
InChIInChI=1S/C21H20ClN3O4S/c22-16-5-1-13(2-6-16)15-11-18(14-3-7-17(8-4-14)30(24,28)29)20(25-9-10-26)19(12-15)21(23)27/h1-8,11-12,25-26H,9-10H2,(H2,23,27)(H2,24,28,29)
InChIKeyYNQZLLCNTSWNDL-UHFFFAOYSA-N
XLogP2.82
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide
CID 135370529
4-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 126754935
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19355558
2-fluoro-5-(4-sulfamoylphenyl)benzoic acid
CID 110453860
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
CID 173275535
3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 46920467
2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide
CID 135370088
2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
CID 162654790
2-[4-amino-2-(4-chlorophenyl)anilino]ethanol
CID 18371506
prop-2-ynyl 3-[4-amino-3-carbamoyl-5-(4-sulfamoylphenyl)phenyl]-4-hydroxybenzoate
CID 175144276
5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid
CID 173202302
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide (CID 135369976) is 5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide is NC(=O)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1NCCO.
What is the InChIKey of 5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide?
The InChIKey is YNQZLLCNTSWNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c22-16-5-1-13(2-6-16)15-11-18(14-3-7-17(8-4-14)30(24,28)29)20(25-9-10-26)19(12-15)21(23)27/h1-8,11-12,25-26H,9-10H2,(H2,23,27)(H2,24,28,29).
What are the key properties of 5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide?
5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide has a molecular weight of 445.93 g/mol, XLogP of 2.82, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 135369976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).