5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide

C14H10BrN3O3S — CID 75403549

IUPAC5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide
SMILESN#Cc1ccccc1CS(=O)(=O)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C14H10BrN3O3S/c15-13-5-12(7-17-8-13)14(19)18-22(20,21)9-11-4-2-1-3-10(11)6-16/h1-5,7-8H,9H2,(H,18,19)
InChIKeyXUBYYMRCSPPGRG-UHFFFAOYSA-N
MW380.22 g/mol
LogP1.98
Rot. Bonds4

About 5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide

5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide (PubChem CID 75403549) has the molecular formula C14H10BrN3O3S and a molecular weight of 380.22 g/mol. Its IUPAC name is 5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide
PubChem CID75403549
Molecular FormulaC14H10BrN3O3S
Molecular Weight380.22 g/mol
Exact Mass378.96
IUPAC Name5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide
SMILESN#Cc1ccccc1CS(=O)(=O)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C14H10BrN3O3S/c15-13-5-12(7-17-8-13)14(19)18-22(20,21)9-11-4-2-1-3-10(11)6-16/h1-5,7-8H,9H2,(H,18,19)
InChIKeyXUBYYMRCSPPGRG-UHFFFAOYSA-N
XLogP1.98
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
CID 60681030
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
CID 43520677
5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 113233794
2-[(2-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid
CID 43080450
2-[(2-cyanophenyl)methylsulfonylamino]-2-ethylbutanoic acid
CID 79814363
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 47166830
5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 32602395
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595131
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide
CID 47296504

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide (CID 75403549) is 5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide is N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide?
The InChIKey is XUBYYMRCSPPGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3S/c15-13-5-12(7-17-8-13)14(19)18-22(20,21)9-11-4-2-1-3-10(11)6-16/h1-5,7-8H,9H2,(H,18,19).
What are the key properties of 5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide?
5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide has a molecular weight of 380.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide is sourced from PubChem (CID 75403549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).