N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide

C14H15ClN2O2S — CID 684357

IUPACN-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cc(C)nc2Cl)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-9-4-6-12(7-5-9)20(18,19)17-13-10(2)8-11(3)16-14(13)15/h4-8,17H,1-3H3
InChIKeyYXBZQVDYGKGULO-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.46
Rot. Bonds3

About N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide

N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide (PubChem CID 684357) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide
PubChem CID684357
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cc(C)nc2Cl)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-9-4-6-12(7-5-9)20(18,19)17-13-10(2)8-11(3)16-14(13)15/h4-8,17H,1-3H3
InChIKeyYXBZQVDYGKGULO-UHFFFAOYSA-N
XLogP3.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Benzenesulfonyl)-2-chloro-4,6-dimethylpyridine
CID 1486628
4-(2,3,4,6-Tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
CID 10572515
1-[4-(Aminosulfonyl)phenyl]-2,4,6-trimethyl-pyridinium perchorate
CID 11581618
4-[(2,4,6-Trimethylpyridin-1-ium-1-yl)methyl]benzenesulfonamide perchlorate
CID 11675510
Biphenyl-4-sulfonic acid (2-chloro-pyridin-3-yl)-amide
CID 1087769
3-(Benzylsulfonyl)-2-chloro-4,6-dimethylpyridine
CID 1479287
2-Chloro-4,6-dimethyl-3-[(3-methylphenyl)sulfonyl]pyridine
CID 1488389
2-Chloro-4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]pyridine
CID 1471058
2-Chloro-4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]pyridine
CID 2768940
3-(2,4,6-Trimethylpyridin-1-ium-1-yl)benzenesulfonamide
CID 91820657
n-(2,4,6-Trimethylpyridin-3-yl)benzenesulfonamide
CID 291468
N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide
CID 3889481

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide (CID 684357) is N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)nc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide?
The InChIKey is YXBZQVDYGKGULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-4-6-12(7-5-9)20(18,19)17-13-10(2)8-11(3)16-14(13)15/h4-8,17H,1-3H3.
What are the key properties of N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide?
N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethyl-3-pyridinyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 684357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).