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

C11H19ClN2O3S2 — CID 103896643

IUPAC2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC(C)(C)CCCO
InChIInChI=1S/C11H19ClN2O3S2/c1-8-9(18-10(12)14-8)19(16,17)13-7-11(2,3)5-4-6-15/h13,15H,4-7H2,1-3H3
InChIKeyDFGMRNJZIBZLCR-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.18
Rot. Bonds7

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

2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103896643) has the molecular formula C11H19ClN2O3S2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103896643
Molecular FormulaC11H19ClN2O3S2
Molecular Weight326.87 g/mol
Exact Mass326.05
IUPAC Name2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC(C)(C)CCCO
InChIInChI=1S/C11H19ClN2O3S2/c1-8-9(18-10(12)14-8)19(16,17)13-7-11(2,3)5-4-6-15/h13,15H,4-7H2,1-3H3
InChIKeyDFGMRNJZIBZLCR-UHFFFAOYSA-N
XLogP2.18
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 104858839
2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide
CID 79550454
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-2-hydroxypropanamide
CID 106173704
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]butanoic acid
CID 61249811
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate
CID 83210333
5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide
CID 103896649
6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide
CID 113347931
2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide
CID 61053561
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 103896593
2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide
CID 61046078
methyl 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 61053412
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 61041117

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 103896643) is 2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCC(C)(C)CCCO.
What is the InChIKey of 2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DFGMRNJZIBZLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O3S2/c1-8-9(18-10(12)14-8)19(16,17)13-7-11(2,3)5-4-6-15/h13,15H,4-7H2,1-3H3.
What are the key properties of 2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 326.87 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103896643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).