N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide

C14H14F3N3O3S — CID 97428248

IUPACN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn([C@H]2CCOC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O3S/c15-14(16,17)10-2-1-3-13(6-10)24(21,22)19-11-7-18-20(8-11)12-4-5-23-9-12/h1-3,6-8,12,19H,4-5,9H2/t12-/m0/s1
InChIKeyMOZXBGPCYXWCDZ-LBPRGKRZSA-N
MW361.35 g/mol
LogP2.66
Rot. Bonds4

About N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 97428248) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID97428248
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn([C@H]2CCOC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O3S/c15-14(16,17)10-2-1-3-13(6-10)24(21,22)19-11-7-18-20(8-11)12-4-5-23-9-12/h1-3,6-8,12,19H,4-5,9H2/t12-/m0/s1
InChIKeyMOZXBGPCYXWCDZ-LBPRGKRZSA-N
XLogP2.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810293
2,6-difluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810303
3,4-difluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810311
4-cyano-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810315
1-(2,5-difluorophenyl)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)methanesulfonamide
CID 72719682
(E)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-2-(p-tolyl)ethenesulfonamide
CID 72719677
(3-chloro-2-tolylsulfonyl){1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428242
(5,6,7,8-tetrahydro-2-naphthylsulfonyl){1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428254
2-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 45905444
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 56805890
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 56805891
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428220

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 97428248) is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cnn([C@H]2CCOC2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MOZXBGPCYXWCDZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c15-14(16,17)10-2-1-3-13(6-10)24(21,22)19-11-7-18-20(8-11)12-4-5-23-9-12/h1-3,6-8,12,19H,4-5,9H2/t12-/m0/s1.
What are the key properties of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 361.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 97428248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).