4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide

C14H15ClN2O3S — CID 81442347

IUPAC4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2c(C)cccc2Cl)ccc1N
InChIInChI=1S/C14H15ClN2O3S/c1-9-4-3-5-11(15)14(9)17-21(18,19)10-6-7-12(16)13(8-10)20-2/h3-8,17H,16H2,1-2H3
InChIKeyBTNUMRROPVXISS-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.04
Rot. Bonds4

About 4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide

4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide (PubChem CID 81442347) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
PubChem CID81442347
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2c(C)cccc2Cl)ccc1N
InChIInChI=1S/C14H15ClN2O3S/c1-9-4-3-5-11(15)14(9)17-21(18,19)10-6-7-12(16)13(8-10)20-2/h3-8,17H,16H2,1-2H3
InChIKeyBTNUMRROPVXISS-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

3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 81438403
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 106070735
N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 66255534
4-amino-N-(2-chloro-5-fluorophenyl)-3-methoxybenzenesulfonamide
CID 107526733
4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide
CID 81442051
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442035
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide (CID 81442347) is 4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2c(C)cccc2Cl)ccc1N.
What is the InChIKey of 4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide?
The InChIKey is BTNUMRROPVXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-9-4-3-5-11(15)14(9)17-21(18,19)10-6-7-12(16)13(8-10)20-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide?
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide 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 4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81442347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).