N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide

C9H17N3O2S — CID 102691010

IUPACN-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H17N3O2S/c1-3-8(4-2)7-11-15(13,14)9-5-6-10-12-9/h5-6,8,11H,3-4,7H2,1-2H3,(H,10,12)
InChIKeyWNKUCAIPNMDTDE-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.12
Rot. Bonds6

About N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide

N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691010) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691010
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H17N3O2S/c1-3-8(4-2)7-11-15(13,14)9-5-6-10-12-9/h5-6,8,11H,3-4,7H2,1-2H3,(H,10,12)
InChIKeyWNKUCAIPNMDTDE-UHFFFAOYSA-N
XLogP1.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazole-3-sulfonamide
CID 17928041
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691910
N-fluoro-1H-pyrazole-5-sulfonamide
CID 140446780
N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691536
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692085
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692155
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692168
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692181
N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102692682
N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102692683
N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102692781
N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
CID 102692998

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide (CID 102691010) is N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide is CCC(CC)CNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is WNKUCAIPNMDTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-8(4-2)7-11-15(13,14)9-5-6-10-12-9/h5-6,8,11H,3-4,7H2,1-2H3,(H,10,12).
What are the key properties of N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide?
N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).