1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide

C14H14F3N3O2S — CID 94815174

IUPAC1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C14H14F3N3O2S/c1-20-8-9(7-18-20)23(21,22)19-13-6-11(13)10-4-2-3-5-12(10)14(15,16)17/h2-5,7-8,11,13,19H,6H2,1H3/t11-,13+/m0/s1
InChIKeyGILXADCDHCGPRF-WCQYABFASA-N
MW345.35 g/mol
LogP2.27
Rot. Bonds4

About 1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide

1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide (PubChem CID 94815174) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide
PubChem CID94815174
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC Name1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C14H14F3N3O2S/c1-20-8-9(7-18-20)23(21,22)19-13-6-11(13)10-4-2-3-5-12(10)14(15,16)17/h2-5,7-8,11,13,19H,6H2,1H3/t11-,13+/m0/s1
InChIKeyGILXADCDHCGPRF-WCQYABFASA-N
XLogP2.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide (CID 94815174) is 1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide?
The InChIKey is GILXADCDHCGPRF-WCQYABFASA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-20-8-9(7-18-20)23(21,22)19-13-6-11(13)10-4-2-3-5-12(10)14(15,16)17/h2-5,7-8,11,13,19H,6H2,1H3/t11-,13+/m0/s1.
What are the key properties of 1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide?
1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide has a molecular weight of 345.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 94815174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).