2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide

C13H14ClN3O2S — CID 61108863

IUPAC2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)Nc2cccnc2Cl)cc1C
InChIInChI=1S/C13H14ClN3O2S/c1-8-6-10(15)12(7-9(8)2)20(18,19)17-11-4-3-5-16-13(11)14/h3-7,17H,15H2,1-2H3
InChIKeyMEUPIBZNYFUPKK-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.73
Rot. Bonds3

About 2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide

2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 61108863) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide
PubChem CID61108863
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)Nc2cccnc2Cl)cc1C
InChIInChI=1S/C13H14ClN3O2S/c1-8-6-10(15)12(7-9(8)2)20(18,19)17-11-4-3-5-16-13(11)14/h3-7,17H,15H2,1-2H3
InChIKeyMEUPIBZNYFUPKK-UHFFFAOYSA-N
XLogP2.73
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 61108865
5-amino-N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645770
3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide
CID 81465769
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
2-amino-4,5-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329850
2,5-dichloro-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 18274556
2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 26969811
2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 103601783
5-amino-N-(2-chloro-3-pyridinyl)-1H-indole-3-sulfonamide
CID 64851484
N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
CID 113221263
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide (CID 61108863) is 2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide is Cc1cc(N)c(S(=O)(=O)Nc2cccnc2Cl)cc1C.
What is the InChIKey of 2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is MEUPIBZNYFUPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-8-6-10(15)12(7-9(8)2)20(18,19)17-11-4-3-5-16-13(11)14/h3-7,17H,15H2,1-2H3.
What are the key properties of 2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 61108863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).