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

C9H11ClN4O2S2 — CID 114251526

IUPAC2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)n1ccc(NS(=O)(=O)c2cnc(Cl)s2)n1
InChIInChI=1S/C9H11ClN4O2S2/c1-6(2)14-4-3-7(12-14)13-18(15,16)8-5-11-9(10)17-8/h3-6H,1-2H3,(H,12,13)
InChIKeyJWRMUXLDTMRIJS-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.37
Rot. Bonds4

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

2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 114251526) has the molecular formula C9H11ClN4O2S2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide
PubChem CID114251526
Molecular FormulaC9H11ClN4O2S2
Molecular Weight306.80 g/mol
Exact Mass306.00
IUPAC Name2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)n1ccc(NS(=O)(=O)c2cnc(Cl)s2)n1
InChIInChI=1S/C9H11ClN4O2S2/c1-6(2)14-4-3-7(12-14)13-18(15,16)8-5-11-9(10)17-8/h3-6H,1-2H3,(H,12,13)
InChIKeyJWRMUXLDTMRIJS-UHFFFAOYSA-N
XLogP2.37
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
2-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455848
2-chloro-N-(1-cyclohexylethyl)-1,3-thiazole-5-sulfonamide
CID 55069221
2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455810
2-chloro-N-(2-imidazol-1-ylphenyl)-1,3-thiazole-5-sulfonamide
CID 61052341
2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455933
2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 61472310
2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide
CID 107151868
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide (CID 114251526) is 2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide is CC(C)n1ccc(NS(=O)(=O)c2cnc(Cl)s2)n1.
What is the InChIKey of 2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is JWRMUXLDTMRIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S2/c1-6(2)14-4-3-7(12-14)13-18(15,16)8-5-11-9(10)17-8/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 306.80 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 114251526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).