N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide

C16H13F3N4O2S — CID 47089773

IUPACN-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2cccnc2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)13-4-1-5-14(9-13)26(24,25)22-15-6-8-23(21-15)11-12-3-2-7-20-10-12/h1-10H,11H2,(H,21,22)
InChIKeyDRCQNVVDGJCMPP-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.15
Rot. Bonds5

About N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 47089773) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID47089773
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC NameN-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2cccnc2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)13-4-1-5-14(9-13)26(24,25)22-15-6-8-23(21-15)11-12-3-2-7-20-10-12/h1-10H,11H2,(H,21,22)
InChIKeyDRCQNVVDGJCMPP-UHFFFAOYSA-N
XLogP3.15
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 47089773) is N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccn(Cc2cccnc2)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DRCQNVVDGJCMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c17-16(18,19)13-4-1-5-14(9-13)26(24,25)22-15-6-8-23(21-15)11-12-3-2-7-20-10-12/h1-10H,11H2,(H,21,22).
What are the key properties of N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 382.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 47089773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).