N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide

C13H13ClN2O3S — CID 43605015

IUPACN-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1N
InChIInChI=1S/C13H13ClN2O3S/c1-19-13-8-10(5-6-12(13)15)16-20(17,18)11-4-2-3-9(14)7-11/h2-8,16H,15H2,1H3
InChIKeyXLXAFTBPLSVGHW-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.73
Rot. Bonds4

About N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide

N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide (PubChem CID 43605015) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
PubChem CID43605015
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC NameN-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1N
InChIInChI=1S/C13H13ClN2O3S/c1-19-13-8-10(5-6-12(13)15)16-20(17,18)11-4-2-3-9(14)7-11/h2-8,16H,15H2,1H3
InChIKeyXLXAFTBPLSVGHW-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-[(4-amino-3-methoxyphenyl)sulfonylamino]benzenesulfonic acid
CID 54467936
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604994
4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide
CID 81442051
N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43605036
3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314914
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
3-amino-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
5-[(3-chlorophenyl)sulfamoyl]-2-methoxybenzamide
CID 27243034

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide (CID 43605015) is N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide is COc1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide?
The InChIKey is XLXAFTBPLSVGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-19-13-8-10(5-6-12(13)15)16-20(17,18)11-4-2-3-9(14)7-11/h2-8,16H,15H2,1H3.
What are the key properties of N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide?
N-(4-amino-3-methoxyphenyl)-3-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-3-methoxyphenyl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 43605015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).