N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide

C14H15ClN2O3S — CID 43605036

IUPACN-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc(Cl)c2C)ccc1N
InChIInChI=1S/C14H15ClN2O3S/c1-9-11(15)4-3-5-14(9)21(18,19)17-10-6-7-12(16)13(8-10)20-2/h3-8,17H,16H2,1-2H3
InChIKeyAGSJMSACDFUBNS-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.04
Rot. Bonds4

About N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide

N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide (PubChem CID 43605036) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide
PubChem CID43605036
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC NameN-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc(Cl)c2C)ccc1N
InChIInChI=1S/C14H15ClN2O3S/c1-9-11(15)4-3-5-14(9)21(18,19)17-10-6-7-12(16)13(8-10)20-2/h3-8,17H,16H2,1-2H3
InChIKeyAGSJMSACDFUBNS-UHFFFAOYSA-N
XLogP3.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 53.04
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

N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide
CID 107620731
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
N-(4-amino-3-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824835
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide (CID 43605036) is N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2cccc(Cl)c2C)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide?
The InChIKey is AGSJMSACDFUBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-9-11(15)4-3-5-14(9)21(18,19)17-10-6-7-12(16)13(8-10)20-2/h3-8,17H,16H2,1-2H3.
What are the key properties of N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide?
N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 3.04, 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-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 43605036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).