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

C9H15ClN2O2S2 — CID 61472310

IUPAC2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnc(Cl)s1)C(C)C
InChIInChI=1S/C9H15ClN2O2S2/c1-4-7(6(2)3)12-16(13,14)8-5-11-9(10)15-8/h5-7,12H,4H2,1-3H3
InChIKeyIXNPLNKDJGJCSR-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.51
Rot. Bonds5

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

2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 61472310) has the molecular formula C9H15ClN2O2S2 and a molecular weight of 282.82 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
PubChem CID61472310
Molecular FormulaC9H15ClN2O2S2
Molecular Weight282.82 g/mol
Exact Mass282.03
IUPAC Name2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnc(Cl)s1)C(C)C
InChIInChI=1S/C9H15ClN2O2S2/c1-4-7(6(2)3)12-16(13,14)8-5-11-9(10)15-8/h5-7,12H,4H2,1-3H3
InChIKeyIXNPLNKDJGJCSR-UHFFFAOYSA-N
XLogP2.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
CID 61052546
methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-3-methylbutanoate
CID 43455982
2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 64603615
5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 80580103
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781
2-chloro-N-(1-cyclohexylethyl)-1,3-thiazole-5-sulfonamide
CID 55069221
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide
CID 113406898
2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 54954779
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705
2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
CID 104760009
2-chloro-N-(2-methoxypropyl)-1,3-thiazole-5-sulfonamide
CID 102697806

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide (CID 61472310) is 2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide is CCC(NS(=O)(=O)c1cnc(Cl)s1)C(C)C.
What is the InChIKey of 2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is IXNPLNKDJGJCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2S2/c1-4-7(6(2)3)12-16(13,14)8-5-11-9(10)15-8/h5-7,12H,4H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 282.82 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61472310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).