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

C12H9ClN4O2S — CID 103093927

IUPAC4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide
SMILESN#Cc1cc(N)ccc1S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C12H9ClN4O2S/c13-10-2-1-5-16-12(10)17-20(18,19)11-4-3-9(15)6-8(11)7-14/h1-6H,15H2,(H,16,17)
InChIKeyQNERELLFFVKSHU-UHFFFAOYSA-N
MW308.75 g/mol
LogP1.99
Rot. Bonds3

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

4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide (PubChem CID 103093927) has the molecular formula C12H9ClN4O2S and a molecular weight of 308.75 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide
PubChem CID103093927
Molecular FormulaC12H9ClN4O2S
Molecular Weight308.75 g/mol
Exact Mass308.01
IUPAC Name4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide
SMILESN#Cc1cc(N)ccc1S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C12H9ClN4O2S/c13-10-2-1-5-16-12(10)17-20(18,19)11-4-3-9(15)6-8(11)7-14/h1-6H,15H2,(H,16,17)
InChIKeyQNERELLFFVKSHU-UHFFFAOYSA-N
XLogP1.99
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 51.99
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-methoxybenzenesulfonamide
CID 103093928
5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide
CID 103093895
5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 103093987
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456936
4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902060
4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166320
2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
CID 75524771
4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 61107705
4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide (CID 103093927) is 4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide is N#Cc1cc(N)ccc1S(=O)(=O)Nc1ncccc1Cl.
What is the InChIKey of 4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide?
The InChIKey is QNERELLFFVKSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S/c13-10-2-1-5-16-12(10)17-20(18,19)11-4-3-9(15)6-8(11)7-14/h1-6H,15H2,(H,16,17).
What are the key properties of 4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide?
4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide has a molecular weight of 308.75 g/mol, XLogP of 1.99, 3 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-cyanobenzenesulfonamide is sourced from PubChem (CID 103093927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).