2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide

C11H17ClN2O3S2 — CID 103858666

IUPAC2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1CCCCC1CO
InChIInChI=1S/C11H17ClN2O3S2/c1-7-10(18-11(12)13-7)19(16,17)14-9-5-3-2-4-8(9)6-15/h8-9,14-15H,2-6H2,1H3
InChIKeyJWTUOQIQVIYUBM-UHFFFAOYSA-N
MW324.86 g/mol
LogP1.93
Rot. Bonds4

About 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103858666) has the molecular formula C11H17ClN2O3S2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103858666
Molecular FormulaC11H17ClN2O3S2
Molecular Weight324.86 g/mol
Exact Mass324.04
IUPAC Name2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1CCCCC1CO
InChIInChI=1S/C11H17ClN2O3S2/c1-7-10(18-11(12)13-7)19(16,17)14-9-5-3-2-4-8(9)6-15/h8-9,14-15H,2-6H2,1H3
InChIKeyJWTUOQIQVIYUBM-UHFFFAOYSA-N
XLogP1.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 64749608
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 62522279
N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053296
N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 103835944
N-[2-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 113318676
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
2-amino-4-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 63945785
[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 103833916
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-2-hydroxypropanamide
CID 106173704
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiophene-3-sulfonamide
CID 103836036
N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
CID 86708972
2-chloro-N-(2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 103721164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 103858666) is 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC1CCCCC1CO.
What is the InChIKey of 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is JWTUOQIQVIYUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S2/c1-7-10(18-11(12)13-7)19(16,17)14-9-5-3-2-4-8(9)6-15/h8-9,14-15H,2-6H2,1H3.
What are the key properties of 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 324.86 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103858666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).