4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide

C12H12ClN3O3S — CID 103093928

IUPAC4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C12H12ClN3O3S/c1-19-10-7-8(14)4-5-11(10)20(17,18)16-12-9(13)3-2-6-15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKeyJORAWQIGFKYCFE-UHFFFAOYSA-N
MW313.77 g/mol
LogP2.13
Rot. Bonds4

About 4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide

4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide (PubChem CID 103093928) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
PubChem CID103093928
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C12H12ClN3O3S/c1-19-10-7-8(14)4-5-11(10)20(17,18)16-12-9(13)3-2-6-15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKeyJORAWQIGFKYCFE-UHFFFAOYSA-N
XLogP2.13
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103093986
4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide
CID 103093927
5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide
CID 103093895
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880
4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
CID 43258342
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342
4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide
CID 107624522
4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524291
5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 103093987
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide (CID 103093928) is 4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)Nc1ncccc1Cl.
What is the InChIKey of 4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide?
The InChIKey is JORAWQIGFKYCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-19-10-7-8(14)4-5-11(10)20(17,18)16-12-9(13)3-2-6-15-12/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide?
4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide has a molecular weight of 313.77 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 103093928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).