4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide

C13H12Cl2N2O3S — CID 43258342

IUPAC4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-12-7-10(16)2-3-13(12)21(18,19)17-11-5-8(14)4-9(15)6-11/h2-7,17H,16H2,1H3
InChIKeyZOYKKCSUGDWHIR-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.38
Rot. Bonds4

About 4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide

4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide (PubChem CID 43258342) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
PubChem CID43258342
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-12-7-10(16)2-3-13(12)21(18,19)17-11-5-8(14)4-9(15)6-11/h2-7,17H,16H2,1H3
InChIKeyZOYKKCSUGDWHIR-UHFFFAOYSA-N
XLogP3.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.38
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

4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571
4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide
CID 107624522
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
CID 43257540
4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 103093928
4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide
CID 163515619
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 43256338
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531
4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 43257220
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide (CID 43258342) is 4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is ZOYKKCSUGDWHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-20-12-7-10(16)2-3-13(12)21(18,19)17-11-5-8(14)4-9(15)6-11/h2-7,17H,16H2,1H3.
What are the key properties of 4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide?
4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 347.22 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43258342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).