2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide

C12H19ClN2O2S2 — CID 61046900

IUPAC2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2O2S2/c1-3-9-4-6-10(7-5-9)15(2)19(16,17)11-8-14-12(13)18-11/h8-10H,3-7H2,1-2H3
InChIKeyPRWIDKRSYWWUTP-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.39
Rot. Bonds4

About 2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 61046900) has the molecular formula C12H19ClN2O2S2 and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide
PubChem CID61046900
Molecular FormulaC12H19ClN2O2S2
Molecular Weight322.88 g/mol
Exact Mass322.06
IUPAC Name2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2O2S2/c1-3-9-4-6-10(7-5-9)15(2)19(16,17)11-8-14-12(13)18-11/h8-10H,3-7H2,1-2H3
InChIKeyPRWIDKRSYWWUTP-UHFFFAOYSA-N
XLogP3.39
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide (CID 61046900) is 2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide is CCC1CCC(N(C)S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is PRWIDKRSYWWUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S2/c1-3-9-4-6-10(7-5-9)15(2)19(16,17)11-8-14-12(13)18-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 322.88 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61046900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).