2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide

C11H13ClN2O2S3 — CID 79485930

IUPAC2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H13ClN2O2S3/c1-8(6-9-4-3-5-17-9)14(2)19(15,16)10-7-13-11(12)18-10/h3-5,7-8H,6H2,1-2H3
InChIKeyOUUIUIQJVSHWDZ-UHFFFAOYSA-N
MW336.89 g/mol
LogP3.11
Rot. Bonds5

About 2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide

2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 79485930) has the molecular formula C11H13ClN2O2S3 and a molecular weight of 336.89 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
PubChem CID79485930
Molecular FormulaC11H13ClN2O2S3
Molecular Weight336.89 g/mol
Exact Mass335.98
IUPAC Name2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H13ClN2O2S3/c1-8(6-9-4-3-5-17-9)14(2)19(15,16)10-7-13-11(12)18-10/h3-5,7-8H,6H2,1-2H3
InChIKeyOUUIUIQJVSHWDZ-UHFFFAOYSA-N
XLogP3.11
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide
CID 80580037
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61042679
2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 43571195
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide
CID 61046860
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491901
3-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491521
1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide
CID 71851155
5-bromo-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488960
5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 79493978
4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471427
2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488959
4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide
CID 79489676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide (CID 79485930) is 2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide is CC(Cc1cccs1)N(C)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is OUUIUIQJVSHWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S3/c1-8(6-9-4-3-5-17-9)14(2)19(15,16)10-7-13-11(12)18-10/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 336.89 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 79485930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).