N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C14H19N3O2S2 — CID 42349762

IUPACN-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCCC2)c(-c2cccs2)n1
InChIInChI=1S/C14H19N3O2S2/c1-17-10-13(14(15-17)12-8-5-9-20-12)21(18,19)16-11-6-3-2-4-7-11/h5,8-11,16H,2-4,6-7H2,1H3
InChIKeyMCEWNWMVUIIEHR-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.76
Rot. Bonds4

About N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42349762) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42349762
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCCC2)c(-c2cccs2)n1
InChIInChI=1S/C14H19N3O2S2/c1-17-10-13(14(15-17)12-8-5-9-20-12)21(18,19)16-11-6-3-2-4-7-11/h5,8-11,16H,2-4,6-7H2,1H3
InChIKeyMCEWNWMVUIIEHR-UHFFFAOYSA-N
XLogP2.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349778
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287
N-cyclopropyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350557
N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349702
1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351775
1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349704
N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349631
N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285175
1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350772
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349940
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285227

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42349762) is N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2CCCCC2)c(-c2cccs2)n1.
What is the InChIKey of N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is MCEWNWMVUIIEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-17-10-13(14(15-17)12-8-5-9-20-12)21(18,19)16-11-6-3-2-4-7-11/h5,8-11,16H,2-4,6-7H2,1H3.
What are the key properties of N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).