N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide

C13H13ClN2O3S — CID 81260297

IUPACN-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cc(N)ccc2Cl)c1
InChIInChI=1S/C13H13ClN2O3S/c1-19-10-3-2-4-11(8-10)20(17,18)16-13-7-9(15)5-6-12(13)14/h2-8,16H,15H2,1H3
InChIKeyWTLCDZVKDNQHKE-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.73
Rot. Bonds4

About N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide

N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide (PubChem CID 81260297) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
PubChem CID81260297
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC NameN-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cc(N)ccc2Cl)c1
InChIInChI=1S/C13H13ClN2O3S/c1-19-10-3-2-4-11(8-10)20(17,18)16-13-7-9(15)5-6-12(13)14/h2-8,16H,15H2,1H3
InChIKeyWTLCDZVKDNQHKE-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-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
CID 47419004
N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide
CID 43550719
N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 110777955
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 29042708
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide
CID 143906940
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 45369226
3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 171347765
N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide
CID 43603701
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 2477654

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide (CID 81260297) is N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2cc(N)ccc2Cl)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide?
The InChIKey is WTLCDZVKDNQHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-19-10-3-2-4-11(8-10)20(17,18)16-13-7-9(15)5-6-12(13)14/h2-8,16H,15H2,1H3.
What are the key properties of N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide?
N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide 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-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81260297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).