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

C12H19ClN2O3S2 — CID 61046493

IUPAC2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H19ClN2O3S2/c1-9-11(19-12(13)14-9)20(17,18)15(7-8-16)10-5-3-2-4-6-10/h10,16H,2-8H2,1H3
InChIKeySNOZFXZYPGMTNP-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.42
Rot. Bonds5

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

2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 61046493) has the molecular formula C12H19ClN2O3S2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID61046493
Molecular FormulaC12H19ClN2O3S2
Molecular Weight338.88 g/mol
Exact Mass338.05
IUPAC Name2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H19ClN2O3S2/c1-9-11(19-12(13)14-9)20(17,18)15(7-8-16)10-5-3-2-4-6-10/h10,16H,2-8H2,1H3
InChIKeySNOZFXZYPGMTNP-UHFFFAOYSA-N
XLogP2.42
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61047405
2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
CID 54979773
N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984802
N-cyclohexyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414836
5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54998995
2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 103858666
2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 61053573
2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 102675869
6-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61046307
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950437
2-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 102675724
[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 103833916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 61046493) is 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is SNOZFXZYPGMTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S2/c1-9-11(19-12(13)14-9)20(17,18)15(7-8-16)10-5-3-2-4-6-10/h10,16H,2-8H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 338.88 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61046493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).