5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide

C13H13ClN2O3S — CID 29042708

IUPAC5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(N)ccc2Cl)c1
InChIInChI=1S/C13H13ClN2O3S/c1-19-11-4-2-3-10(8-11)16-20(17,18)13-7-9(15)5-6-12(13)14/h2-8,16H,15H2,1H3
InChIKeyWNGPFCBUBASUHV-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.73
Rot. Bonds4

About 5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide

5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 29042708) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID29042708
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(N)ccc2Cl)c1
InChIInChI=1S/C13H13ClN2O3S/c1-19-11-4-2-3-10(8-11)16-20(17,18)13-7-9(15)5-6-12(13)14/h2-8,16H,15H2,1H3
InChIKeyWNGPFCBUBASUHV-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

5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 61112072
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853
N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
methane;methanesulfonyl chloride;3-methoxyaniline;N-(3-methoxyphenyl)methanesulfonamide
CID 159081432
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 61125171
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
CID 43124455
3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257405

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide (CID 29042708) is 5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2cc(N)ccc2Cl)c1.
What is the InChIKey of 5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is WNGPFCBUBASUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-19-11-4-2-3-10(8-11)16-20(17,18)13-7-9(15)5-6-12(13)14/h2-8,16H,15H2,1H3.
What are the key properties of 5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide?
5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide 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 5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 29042708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).