N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide

C17H17N3O5S — CID 27698212

IUPACN-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1ccccc1O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H17N3O5S/c21-15-7-2-1-6-14(15)17(23)19-18-16(22)11-4-3-5-13(10-11)26(24,25)20-12-8-9-12/h1-7,10,12,20-21H,8-9H2,(H,18,22)(H,19,23)
InChIKeyJQXAJMVDXLGJAI-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.91
Rot. Bonds5

About N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide

N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 27698212) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID27698212
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1ccccc1O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H17N3O5S/c21-15-7-2-1-6-14(15)17(23)19-18-16(22)11-4-3-5-13(10-11)26(24,25)20-12-8-9-12/h1-7,10,12,20-21H,8-9H2,(H,18,22)(H,19,23)
InChIKeyJQXAJMVDXLGJAI-UHFFFAOYSA-N
XLogP0.91
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.91
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-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide
CID 55585755
3-(benzamidocarbamoyl)-4-bromo-N-cyclopropylbenzenesulfonamide
CID 27839003
N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide
CID 26121096
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119521902
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 30858539

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide (CID 27698212) is N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide is O=C(NNC(=O)c1ccccc1O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is JQXAJMVDXLGJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c21-15-7-2-1-6-14(15)17(23)19-18-16(22)11-4-3-5-13(10-11)26(24,25)20-12-8-9-12/h1-7,10,12,20-21H,8-9H2,(H,18,22)(H,19,23).
What are the key properties of N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide?
N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 0.91, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 27698212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).