4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

C17H14F3N3O2S — CID 2809265

IUPAC4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1
InChIInChI=1S/C17H14F3N3O2S/c1-12-2-8-15(9-3-12)26(24,25)22-13-4-6-14(7-5-13)23-11-10-16(21-23)17(18,19)20/h2-11,22H,1H3
InChIKeyWODLUNNKSHKVTD-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.00
Rot. Bonds4

About 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 2809265) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
PubChem CID2809265
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1
InChIInChI=1S/C17H14F3N3O2S/c1-12-2-8-15(9-3-12)26(24,25)22-13-4-6-14(7-5-13)23-11-10-16(21-23)17(18,19)20/h2-11,22H,1H3
InChIKeyWODLUNNKSHKVTD-UHFFFAOYSA-N
XLogP4.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (CID 2809265) is 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is WODLUNNKSHKVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-12-2-8-15(9-3-12)26(24,25)22-13-4-6-14(7-5-13)23-11-10-16(21-23)17(18,19)20/h2-11,22H,1H3.
What are the key properties of 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 381.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 2809265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).