5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

C9H9ClN2O3S3 — CID 64571587

IUPAC5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESCC(O)c1csc(NS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C9H9ClN2O3S3/c1-5(13)6-4-16-9(11-6)12-18(14,15)8-3-2-7(10)17-8/h2-5,13H,1H3,(H,11,12)
InChIKeyGPTKAQLXACIGHT-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.71
Rot. Bonds4

About 5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 64571587) has the molecular formula C9H9ClN2O3S3 and a molecular weight of 324.84 g/mol. Its IUPAC name is 5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
PubChem CID64571587
Molecular FormulaC9H9ClN2O3S3
Molecular Weight324.84 g/mol
Exact Mass323.95
IUPAC Name5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESCC(O)c1csc(NS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C9H9ClN2O3S3/c1-5(13)6-4-16-9(11-6)12-18(14,15)8-3-2-7(10)17-8/h2-5,13H,1H3,(H,11,12)
InChIKeyGPTKAQLXACIGHT-UHFFFAOYSA-N
XLogP2.71
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 64543448
5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106267684
3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 64543445
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide
CID 64573299
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 64572227
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropane-1-sulfonamide
CID 64572438
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 64573728
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361317
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577359
4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61481092
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (CID 64571587) is 5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is CC(O)c1csc(NS(=O)(=O)c2ccc(Cl)s2)n1.
What is the InChIKey of 5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is GPTKAQLXACIGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S3/c1-5(13)6-4-16-9(11-6)12-18(14,15)8-3-2-7(10)17-8/h2-5,13H,1H3,(H,11,12).
What are the key properties of 5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 324.84 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 64571587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).