2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide

C10H17ClN2O2S2 — CID 79481379

IUPAC2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H17ClN2O2S2/c1-4-8(3)7-13(5-2)17(14,15)9-6-12-10(11)16-9/h6,8H,4-5,7H2,1-3H3
InChIKeyMGUFXAODCKMRQQ-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.85
Rot. Bonds6

About 2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide (PubChem CID 79481379) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide
PubChem CID79481379
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.85 g/mol
Exact Mass296.04
IUPAC Name2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H17ClN2O2S2/c1-4-8(3)7-13(5-2)17(14,15)9-6-12-10(11)16-9/h6,8H,4-5,7H2,1-3H3
InChIKeyMGUFXAODCKMRQQ-UHFFFAOYSA-N
XLogP2.85
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N,N-dipropyl-1,3-thiazole-5-sulfonamide
CID 43427518
2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 43571195
N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455931
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61044861
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61042679
N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
CID 79470177
N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
CID 79470009
N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 79481846
N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 79470903
2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61047095
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046163
2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 61472310

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide (CID 79481379) is 2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide is CCC(C)CN(CC)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is MGUFXAODCKMRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S2/c1-4-8(3)7-13(5-2)17(14,15)9-6-12-10(11)16-9/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 296.85 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 79481379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).