N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide

C13H13ClN2O3S — CID 43123342

IUPACN-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
SMILESCOc1cc(N)ccc1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-19-12-8-9(15)6-7-11(12)16-20(17,18)13-5-3-2-4-10(13)14/h2-8,16H,15H2,1H3
InChIKeyZSEUMICPAUPJBV-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.73
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide

N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide (PubChem CID 43123342) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
PubChem CID43123342
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
SMILESCOc1cc(N)ccc1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-19-12-8-9(15)6-7-11(12)16-20(17,18)13-5-3-2-4-10(13)14/h2-8,16H,15H2,1H3
InChIKeyZSEUMICPAUPJBV-UHFFFAOYSA-N
XLogP2.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide
CID 43603701
4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide
CID 107624522
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 103093928
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
3-[(2-chlorophenyl)sulfonylmethyl]-4-methoxyaniline
CID 43444174
4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
CID 43258342
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide (CID 43123342) is N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide is COc1cc(N)ccc1NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide?
The InChIKey is ZSEUMICPAUPJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-19-12-8-9(15)6-7-11(12)16-20(17,18)13-5-3-2-4-10(13)14/h2-8,16H,15H2,1H3.
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide?
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 43123342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).