N-(3-aminophenyl)-2-chlorobenzenesulfonamide

C12H11ClN2O2S — CID 39382570

IUPACN-(3-aminophenyl)-2-chlorobenzenesulfonamide
SMILESNc1cccc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C12H11ClN2O2S/c13-11-6-1-2-7-12(11)18(16,17)15-10-5-3-4-9(14)8-10/h1-8,15H,14H2
InChIKeyBAMCKZNKTPROLI-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.72
Rot. Bonds3

About N-(3-aminophenyl)-2-chlorobenzenesulfonamide

N-(3-aminophenyl)-2-chlorobenzenesulfonamide (PubChem CID 39382570) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-chlorobenzenesulfonamide
PubChem CID39382570
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-(3-aminophenyl)-2-chlorobenzenesulfonamide
SMILESNc1cccc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C12H11ClN2O2S/c13-11-6-1-2-7-12(11)18(16,17)15-10-5-3-4-9(14)8-10/h1-8,15H,14H2
InChIKeyBAMCKZNKTPROLI-UHFFFAOYSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide
CID 67893138
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide
CID 63120987
N-[(3-aminophenyl)methyl]-2-chlorobenzenesulfonamide
CID 43593530
2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636299
5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 29042708
4-amino-2-chloro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 28973552
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide
CID 28861731

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(3-aminophenyl)-2-chlorobenzenesulfonamide (CID 39382570) is N-(3-aminophenyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-2-chlorobenzenesulfonamide is Nc1cccc(NS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of N-(3-aminophenyl)-2-chlorobenzenesulfonamide?
The InChIKey is BAMCKZNKTPROLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-11-6-1-2-7-12(11)18(16,17)15-10-5-3-4-9(14)8-10/h1-8,15H,14H2.
What are the key properties of N-(3-aminophenyl)-2-chlorobenzenesulfonamide?
N-(3-aminophenyl)-2-chlorobenzenesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 39382570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).