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

C9H15ClN2O3S2 — CID 107151868

IUPAC2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H15ClN2O3S2/c1-6(2)3-7(13)4-12-17(14,15)8-5-11-9(10)16-8/h5-7,12-13H,3-4H2,1-2H3
InChIKeySIFLSOCMBBFHRZ-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.48
Rot. Bonds6

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

2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide (PubChem CID 107151868) has the molecular formula C9H15ClN2O3S2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide
PubChem CID107151868
Molecular FormulaC9H15ClN2O3S2
Molecular Weight298.82 g/mol
Exact Mass298.02
IUPAC Name2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H15ClN2O3S2/c1-6(2)3-7(13)4-12-17(14,15)8-5-11-9(10)16-8/h5-7,12-13H,3-4H2,1-2H3
InChIKeySIFLSOCMBBFHRZ-UHFFFAOYSA-N
XLogP1.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-methoxypropyl)-1,3-thiazole-5-sulfonamide
CID 102697806
2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
CID 104760009
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 61051529
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide
CID 106033856
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781
N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide
CID 135224228
4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 103414340
2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 61472310
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate
CID 60749436

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide (CID 107151868) is 2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide is CC(C)CC(O)CNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is SIFLSOCMBBFHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O3S2/c1-6(2)3-7(13)4-12-17(14,15)8-5-11-9(10)16-8/h5-7,12-13H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 298.82 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 107151868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).