N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

C14H10F6N2O2S — CID 3691784

IUPACN-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10F6N2O2S/c15-13(16,17)10-4-11(14(18,19)20)6-12(5-10)25(23,24)22-8-9-2-1-3-21-7-9/h1-7,22H,8H2
InChIKeyBTVIJAVKFUWIKB-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.60
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 3691784) has the molecular formula C14H10F6N2O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID3691784
Molecular FormulaC14H10F6N2O2S
Molecular Weight384.30 g/mol
Exact Mass384.04
IUPAC NameN-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10F6N2O2S/c15-13(16,17)10-4-11(14(18,19)20)6-12(5-10)25(23,24)22-8-9-2-1-3-21-7-9/h1-7,22H,8H2
InChIKeyBTVIJAVKFUWIKB-UHFFFAOYSA-N
XLogP3.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3471758
4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 26947494
4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352
4-(2-bromoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112086
3-amino-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 82845301
N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2804037
3,5-bis(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3552945
4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60984178
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide
CID 141000174
3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 98000782
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 3691784) is N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is BTVIJAVKFUWIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O2S/c15-13(16,17)10-4-11(14(18,19)20)6-12(5-10)25(23,24)22-8-9-2-1-3-21-7-9/h1-7,22H,8H2.
What are the key properties of N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3691784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).