benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C17H16F3N3O2S — CID 70178661

IUPACbenzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1-n1ccc(C(F)(F)F)n1.c1ccccc1
InChIInChI=1S/C11H10F3N3O2S.C6H6/c1-7-6-8(20(15,18)19)2-3-9(7)17-5-4-10(16-17)11(12,13)14;1-2-4-6-5-3-1/h2-6H,1H3,(H2,15,18,19);1-6H
InChIKeyRRERBPRCBAKYAK-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.53
Rot. Bonds2

About benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 70178661) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Namebenzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID70178661
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Namebenzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1-n1ccc(C(F)(F)F)n1.c1ccccc1
InChIInChI=1S/C11H10F3N3O2S.C6H6/c1-7-6-8(20(15,18)19)2-3-9(7)17-5-4-10(16-17)11(12,13)14;1-2-4-6-5-3-1/h2-6H,1H3,(H2,15,18,19);1-6H
InChIKeyRRERBPRCBAKYAK-UHFFFAOYSA-N
XLogP3.53
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 70178661) is benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Cc1cc(S(N)(=O)=O)ccc1-n1ccc(C(F)(F)F)n1.c1ccccc1.
What is the InChIKey of benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is RRERBPRCBAKYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S.C6H6/c1-7-6-8(20(15,18)19)2-3-9(7)17-5-4-10(16-17)11(12,13)14;1-2-4-6-5-3-1/h2-6H,1H3,(H2,15,18,19);1-6H.
What are the key properties of benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 383.40 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 70178661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).