2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide

C9H15ClN2O2S2 — CID 43571195

IUPAC2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H15ClN2O2S2/c1-4-7(5-2)12(3)16(13,14)8-6-11-9(10)15-8/h6-7H,4-5H2,1-3H3
InChIKeyUVPBZZURSYLBFV-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.61
Rot. Bonds5

About 2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide

2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide (PubChem CID 43571195) has the molecular formula C9H15ClN2O2S2 and a molecular weight of 282.82 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
PubChem CID43571195
Molecular FormulaC9H15ClN2O2S2
Molecular Weight282.82 g/mol
Exact Mass282.03
IUPAC Name2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H15ClN2O2S2/c1-4-7(5-2)12(3)16(13,14)8-6-11-9(10)15-8/h6-7H,4-5H2,1-3H3
InChIKeyUVPBZZURSYLBFV-UHFFFAOYSA-N
XLogP2.61
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 79485930
2-chloro-N,N-dipropyl-1,3-thiazole-5-sulfonamide
CID 43427518
2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide
CID 79481379
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide
CID 61046860
N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455931
2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43427433
ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
CID 54969412
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61042679
2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61047095
2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 106934935
2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61052655
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-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide (CID 43571195) is 2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide is CCC(CC)N(C)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is UVPBZZURSYLBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2S2/c1-4-7(5-2)12(3)16(13,14)8-6-11-9(10)15-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide?
2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 282.82 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43571195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).