2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide

C13H21F2N3O2S — CID 154789030

IUPAC2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide
SMILESCC(F)(F)C(C)(C)NS(=O)(=O)c1ccnn1CC1CCC1
InChIInChI=1S/C13H21F2N3O2S/c1-12(2,13(3,14)15)17-21(19,20)11-7-8-16-18(11)9-10-5-4-6-10/h7-8,10,17H,4-6,9H2,1-3H3
InChIKeyXPMVDWZOIISXPD-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.40
Rot. Bonds6

About 2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide

2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide (PubChem CID 154789030) has the molecular formula C13H21F2N3O2S and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide
PubChem CID154789030
Molecular FormulaC13H21F2N3O2S
Molecular Weight321.39 g/mol
Exact Mass321.13
IUPAC Name2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide
SMILESCC(F)(F)C(C)(C)NS(=O)(=O)c1ccnn1CC1CCC1
InChIInChI=1S/C13H21F2N3O2S/c1-12(2,13(3,14)15)17-21(19,20)11-7-8-16-18(11)9-10-5-4-6-10/h7-8,10,17H,4-6,9H2,1-3H3
InChIKeyXPMVDWZOIISXPD-UHFFFAOYSA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide
CID 167927746
N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide
CID 136588398
1-[2-(cyclobutylmethyl)pyrazol-3-yl]-N-methylmethanamine
CID 84768012
2-[[[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonylamino]methyl]-3-methylimidazole-4-carboxylic acid
CID 166400012
N-tert-butyl-2,3-dichloro-4-[4-chloro-1-(cyclohexylmethyl)pyrazol-5-yl]benzenesulfonamide
CID 141393547
2-(cyclopropylmethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921793
2-ethyl-N-methylpyrazole-3-sulfonamide
CID 130637633
8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 167929170
2-(cyclopropylmethyl)-N-ethyl-N-(2-methyl-3-pyridinyl)pyrazole-3-sulfonamide
CID 155956923
2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid
CID 84780605
N-(2-amino-2-methylpropyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120711476
1-(cyclobutylmethyl)-5-pyrrolidin-2-ylpyrazole
CID 84778724

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide?
The IUPAC name of 2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide (CID 154789030) is 2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide is CC(F)(F)C(C)(C)NS(=O)(=O)c1ccnn1CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide?
The InChIKey is XPMVDWZOIISXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O2S/c1-12(2,13(3,14)15)17-21(19,20)11-7-8-16-18(11)9-10-5-4-6-10/h7-8,10,17H,4-6,9H2,1-3H3.
What are the key properties of 2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide?
2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide has a molecular weight of 321.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide is sourced from PubChem (CID 154789030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).