N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide

C19H13ClN2O4S — CID 87059878

IUPACN-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide
SMILESO=Nc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H13ClN2O4S/c20-14-10-11-16(15(12-14)19(23)13-6-2-1-3-7-13)22-27(25,26)18-9-5-4-8-17(18)21-24/h1-12,22H
InChIKeyZNQXJSRHSIPGIW-UHFFFAOYSA-N
MW400.84 g/mol
LogP4.77
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide

N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide (PubChem CID 87059878) has the molecular formula C19H13ClN2O4S and a molecular weight of 400.84 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide
PubChem CID87059878
Molecular FormulaC19H13ClN2O4S
Molecular Weight400.84 g/mol
Exact Mass400.03
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide
SMILESO=Nc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H13ClN2O4S/c20-14-10-11-16(15(12-14)19(23)13-6-2-1-3-7-13)22-27(25,26)18-9-5-4-8-17(18)21-24/h1-12,22H
InChIKeyZNQXJSRHSIPGIW-UHFFFAOYSA-N
XLogP4.77
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
CID 110193413
N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide
CID 58979539
N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 10095019
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506
2-(2-benzoyl-4-chloroanilino)acetate
CID 4162627
2-benzoyl-4-chlorobenzenesulfonyl chloride
CID 2756600
N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
CID 58883582
[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
CID 14598884
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
[5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone
CID 528283

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide (CID 87059878) is N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide is O=Nc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide?
The InChIKey is ZNQXJSRHSIPGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O4S/c20-14-10-11-16(15(12-14)19(23)13-6-2-1-3-7-13)22-27(25,26)18-9-5-4-8-17(18)21-24/h1-12,22H.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide?
N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide has a molecular weight of 400.84 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide is sourced from PubChem (CID 87059878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).