N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide

C8H15N3O2S — CID 102691491

IUPACN-(3-methylbutyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H15N3O2S/c1-7(2)3-6-10-14(12,13)8-4-5-9-11-8/h4-5,7,10H,3,6H2,1-2H3,(H,9,11)
InChIKeyBYSJHIDZMDGQPX-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.73
Rot. Bonds5

About N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide

N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691491) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691491
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-(3-methylbutyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H15N3O2S/c1-7(2)3-6-10-14(12,13)8-4-5-9-11-8/h4-5,7,10H,3,6H2,1-2H3,(H,9,11)
InChIKeyBYSJHIDZMDGQPX-UHFFFAOYSA-N
XLogP0.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazole-3-sulfonamide
CID 17928041
3-methanesulfonyl-1H-pyrazole
CID 54023080
1H-Pyrazole-5-sulfonyl fluoride
CID 130871771
1H-pyrazole-5-sulfonic acid
CID 19014003
1H-Pyrazole-3-sulfonyl chloride
CID 53734186
Methylaminothiodiazol
CID 129888690
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691910
N-fluoro-1H-pyrazole-5-sulfonamide
CID 140446780
fluoro 1H-pyrazole-5-sulfonate
CID 151130773
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide (CID 102691491) is N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide is CC(C)CCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is BYSJHIDZMDGQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-7(2)3-6-10-14(12,13)8-4-5-9-11-8/h4-5,7,10H,3,6H2,1-2H3,(H,9,11).
What are the key properties of N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide?
N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).