6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

C11H12ClN3O2S2 — CID 63063511

IUPAC6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1csc(C(C)NS(=O)(=O)c2ccc(Cl)nc2)n1
InChIInChI=1S/C11H12ClN3O2S2/c1-7-6-18-11(14-7)8(2)15-19(16,17)9-3-4-10(12)13-5-9/h3-6,8,15H,1-2H3
InChIKeyJJSSMLZJBDGMQJ-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.54
Rot. Bonds4

About 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 63063511) has the molecular formula C11H12ClN3O2S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID63063511
Molecular FormulaC11H12ClN3O2S2
Molecular Weight317.82 g/mol
Exact Mass317.01
IUPAC Name6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1csc(C(C)NS(=O)(=O)c2ccc(Cl)nc2)n1
InChIInChI=1S/C11H12ClN3O2S2/c1-7-6-18-11(14-7)8(2)15-19(16,17)9-3-4-10(12)13-5-9/h3-6,8,15H,1-2H3
InChIKeyJJSSMLZJBDGMQJ-UHFFFAOYSA-N
XLogP2.54
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 146105117
N-but-3-yn-2-yl-6-chloropyridine-3-sulfonamide
CID 114416452
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 78961556
2-chloro-5-methoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 56805357
6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 86668141
6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 7510094
6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 60639957
2,5-dibromo-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 81435159
6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide
CID 65314396
6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
CID 7510271
2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756779
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (CID 63063511) is 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is Cc1csc(C(C)NS(=O)(=O)c2ccc(Cl)nc2)n1.
What is the InChIKey of 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is JJSSMLZJBDGMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S2/c1-7-6-18-11(14-7)8(2)15-19(16,17)9-3-4-10(12)13-5-9/h3-6,8,15H,1-2H3.
What are the key properties of 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 317.82 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 63063511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).