4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide

C14H15ClN2O3S — CID 107624522

IUPAC4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1cc(C)ccc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-9-3-5-11(15)12(7-9)17-21(18,19)14-6-4-10(16)8-13(14)20-2/h3-8,17H,16H2,1-2H3
InChIKeyKRMZSNFNEWETSX-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.04
Rot. Bonds4

About 4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide

4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 107624522) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide
PubChem CID107624522
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1cc(C)ccc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-9-3-5-11(15)12(7-9)17-21(18,19)14-6-4-10(16)8-13(14)20-2/h3-8,17H,16H2,1-2H3
InChIKeyKRMZSNFNEWETSX-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

5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 28941062
4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
CID 43258342
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495
4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 103093928
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385
2-amino-N-(2-chloro-5-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 107624506
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975
4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 43257220
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide (CID 107624522) is 4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)Nc1cc(C)ccc1Cl.
What is the InChIKey of 4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is KRMZSNFNEWETSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-9-3-5-11(15)12(7-9)17-21(18,19)14-6-4-10(16)8-13(14)20-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide?
4-amino-N-(2-chloro-5-methylphenyl)-2-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-5-methylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 107624522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).