N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide

C14H15F2N3O2S — CID 146143784

IUPACN-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1C1CCC1)c1ccccc1C(F)F
InChIInChI=1S/C14H15F2N3O2S/c15-14(16)11-6-1-2-7-12(11)22(20,21)18-13-8-9-17-19(13)10-4-3-5-10/h1-2,6-10,14,18H,3-5H2
InChIKeySADGXFCQIHJYMQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.35
Rot. Bonds5

About N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide

N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide (PubChem CID 146143784) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide
PubChem CID146143784
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC NameN-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1C1CCC1)c1ccccc1C(F)F
InChIInChI=1S/C14H15F2N3O2S/c15-14(16)11-6-1-2-7-12(11)22(20,21)18-13-8-9-17-19(13)10-4-3-5-10/h1-2,6-10,14,18H,3-5H2
InChIKeySADGXFCQIHJYMQ-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 56750809
2-cyclopentyl-N-propan-2-ylpyrazol-3-amine
CID 130683846
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 134702607
1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111120671
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24794158
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
2-(benzhydrylamino)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8596124
2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide
CID 146144012
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525
2-cyclobutyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrazole-3-sulfonamide
CID 136569915

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide (CID 146143784) is N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccnn1C1CCC1)c1ccccc1C(F)F.
What is the InChIKey of N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide?
The InChIKey is SADGXFCQIHJYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c15-14(16)11-6-1-2-7-12(11)22(20,21)18-13-8-9-17-19(13)10-4-3-5-10/h1-2,6-10,14,18H,3-5H2.
What are the key properties of N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide?
N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide has a molecular weight of 327.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide is sourced from PubChem (CID 146143784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).