N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide

C14H13F3N2O3S — CID 40673140

IUPACN-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C14H13F3N2O3S/c1-10(11-3-2-8-18-9-11)19-23(20,21)13-6-4-12(5-7-13)22-14(15,16)17/h2-10,19H,1H3/t10-/m1/s1
InChIKeyNOMZFRFVXSPIDH-SNVBAGLBSA-N
MW346.33 g/mol
LogP3.02
Rot. Bonds5

About N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 40673140) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID40673140
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC NameN-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C14H13F3N2O3S/c1-10(11-3-2-8-18-9-11)19-23(20,21)13-6-4-12(5-7-13)22-14(15,16)17/h2-10,19H,1H3/t10-/m1/s1
InChIKeyNOMZFRFVXSPIDH-SNVBAGLBSA-N
XLogP3.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cgs-27023
CID 446504
3,4-Dimethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1141964
Butanamide, N-hydroxy-2-(((4-methoxyphenyl)sulfonyl)(3-pyridinylmethyl)amino)-3-methyl-, hydrochloride (1:1), (2R)-
CID 9888897
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209
Acetamide, N-hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-
CID 10545870
(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-4-methylpentanamide
CID 10645086
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]-N~2~-(Pyridin-4-Ylmethyl)glycinamide
CID 10831751
Hexahydro quinoline derivative 1
CID 121325265
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
CID 71465421
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 40673140) is N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is NOMZFRFVXSPIDH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c1-10(11-3-2-8-18-9-11)19-23(20,21)13-6-4-12(5-7-13)22-14(15,16)17/h2-10,19H,1H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 346.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 40673140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).