2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide

C10H17ClN2O2S2 — CID 54954779

IUPAC2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1sc(Cl)nc1C)C(C)C
InChIInChI=1S/C10H17ClN2O2S2/c1-5-8(6(2)3)13-17(14,15)9-7(4)12-10(11)16-9/h6,8,13H,5H2,1-4H3
InChIKeyBQJGTFWESILQAH-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.82
Rot. Bonds5

About 2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 54954779) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
PubChem CID54954779
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.85 g/mol
Exact Mass296.04
IUPAC Name2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1sc(Cl)nc1C)C(C)C
InChIInChI=1S/C10H17ClN2O2S2/c1-5-8(6(2)3)13-17(14,15)9-7(4)12-10(11)16-9/h6,8,13H,5H2,1-4H3
InChIKeyBQJGTFWESILQAH-UHFFFAOYSA-N
XLogP2.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-fluorocyclopropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 60127658
2-chloro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
CID 61044799
2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
CID 61047371
2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
CID 61052205
2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
CID 63226797
2-chloro-4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazole-5-sulfonamide
CID 79477462
2-chloro-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 79477674
2-chloro-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 113461595
2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide
CID 115486666
2-Chloro-N,4-dimethyl-5-thiazolesulfonamide
CID 11424677
2-Chloro-N-cyclopropyl-4-methyl-5-thiazolesulfonamide
CID 12094252
2-Chloro-4-methyl-thiazole-5-sulfonic acid tert-butylamide
CID 43456062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide (CID 54954779) is 2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide is CCC(NS(=O)(=O)c1sc(Cl)nc1C)C(C)C.
What is the InChIKey of 2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is BQJGTFWESILQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S2/c1-5-8(6(2)3)13-17(14,15)9-7(4)12-10(11)16-9/h6,8,13H,5H2,1-4H3.
What are the key properties of 2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 296.85 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54954779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).