2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide

C11H12ClN3O2S2 — CID 103768578

IUPAC2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C11H12ClN3O2S2/c1-3-15(9-4-6-13-7-5-9)19(16,17)10-8(2)14-11(12)18-10/h4-7H,3H2,1-2H3
InChIKeyOWRWBQNFUHQZHP-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide

2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide (PubChem CID 103768578) has the molecular formula C11H12ClN3O2S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
PubChem CID103768578
Molecular FormulaC11H12ClN3O2S2
Molecular Weight317.82 g/mol
Exact Mass317.01
IUPAC Name2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C11H12ClN3O2S2/c1-3-15(9-4-6-13-7-5-9)19(16,17)10-8(2)14-11(12)18-10/h4-7H,3H2,1-2H3
InChIKeyOWRWBQNFUHQZHP-UHFFFAOYSA-N
XLogP2.72
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-cyclopropyl-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 43456224
5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide
CID 103768575
2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61052666
6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 113258214
2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104656493
2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61047405
2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 55233131
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 60744536
2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934561
2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 61422760
2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 103768572

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide (CID 103768578) is 2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide is CCN(c1ccncc1)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is OWRWBQNFUHQZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S2/c1-3-15(9-4-6-13-7-5-9)19(16,17)10-8(2)14-11(12)18-10/h4-7H,3H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide?
2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 317.82 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103768578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).