N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide

C21H18ClN3O5S — CID 27689934

IUPACN-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1ccc(O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1
InChIInChI=1S/C21H18ClN3O5S/c1-13-8-9-19(26)18(10-13)21(28)24-23-20(27)14-4-2-7-17(11-14)31(29,30)25-16-6-3-5-15(22)12-16/h2-12,25-26H,1H3,(H,23,27)(H,24,28)
InChIKeyIDKJISRAAFOLKV-UHFFFAOYSA-N
MW459.91 g/mol
LogP3.23
Rot. Bonds5

About N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide

N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 27689934) has the molecular formula C21H18ClN3O5S and a molecular weight of 459.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID27689934
Molecular FormulaC21H18ClN3O5S
Molecular Weight459.91 g/mol
Exact Mass459.07
IUPAC NameN-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1ccc(O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1
InChIInChI=1S/C21H18ClN3O5S/c1-13-8-9-19(26)18(10-13)21(28)24-23-20(27)14-4-2-7-17(11-14)31(29,30)25-16-6-3-5-15(22)12-16/h2-12,25-26H,1H3,(H,23,27)(H,24,28)
InChIKeyIDKJISRAAFOLKV-UHFFFAOYSA-N
XLogP3.23
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.91
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 43016473
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24642847
3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide
CID 55585755
2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10296361
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
2-chloro-N-[2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]ethyl]benzamide
CID 55659484
N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 46454566
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 36925968
3-[(3-chlorophenyl)sulfamoyl]-N-cyclohexylbenzamide
CID 9043246

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide (CID 27689934) is N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide is Cc1ccc(O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is IDKJISRAAFOLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O5S/c1-13-8-9-19(26)18(10-13)21(28)24-23-20(27)14-4-2-7-17(11-14)31(29,30)25-16-6-3-5-15(22)12-16/h2-12,25-26H,1H3,(H,23,27)(H,24,28).
What are the key properties of N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 459.91 g/mol, XLogP of 3.23, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 27689934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).