N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide

C14H12BrN3O2S — CID 107796662

IUPACN-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CCc2ccncc2)c(Br)c1
InChIInChI=1S/C14H12BrN3O2S/c15-13-9-12(10-16)1-2-14(13)18-21(19,20)8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8H2
InChIKeyPGFPSBZWPJYOFL-UHFFFAOYSA-N
MW366.24 g/mol
LogP2.70
Rot. Bonds5

About N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide

N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 107796662) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID107796662
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC NameN-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CCc2ccncc2)c(Br)c1
InChIInChI=1S/C14H12BrN3O2S/c15-13-9-12(10-16)1-2-14(13)18-21(19,20)8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8H2
InChIKeyPGFPSBZWPJYOFL-UHFFFAOYSA-N
XLogP2.70
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide (CID 107796662) is N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide is N#Cc1ccc(NS(=O)(=O)CCc2ccncc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is PGFPSBZWPJYOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c15-13-9-12(10-16)1-2-14(13)18-21(19,20)8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8H2.
What are the key properties of N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide?
N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 366.24 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 107796662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).