N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide

C13H13ClN2O3S — CID 43605551

IUPACN-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2N)cc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-19-13-7-6-9(8-10(13)14)20(17,18)16-12-5-3-2-4-11(12)15/h2-8,16H,15H2,1H3
InChIKeyAAWOKCBSLSUOMS-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.73
Rot. Bonds4

About N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide

N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide (PubChem CID 43605551) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
PubChem CID43605551
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC NameN-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2N)cc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-19-13-7-6-9(8-10(13)14)20(17,18)16-12-5-3-2-4-11(12)15/h2-8,16H,15H2,1H3
InChIKeyAAWOKCBSLSUOMS-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

3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 60532106
N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 113093841
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide
CID 113098500

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide (CID 43605551) is N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2N)cc1Cl.
What is the InChIKey of N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide?
The InChIKey is AAWOKCBSLSUOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-19-13-7-6-9(8-10(13)14)20(17,18)16-12-5-3-2-4-11(12)15/h2-8,16H,15H2,1H3.
What are the key properties of N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide?
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide 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-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43605551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).