3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide

C14H13BrN2O3S — CID 4109228

IUPAC3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccccn1
InChIInChI=1S/C14H13BrN2O3S/c15-11-4-6-12(7-5-11)21(19,20)10-8-14(18)17-13-3-1-2-9-16-13/h1-7,9H,8,10H2,(H,16,17,18)
InChIKeyXQMWKJFRCKCREE-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.65
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide

3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide (PubChem CID 4109228) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide
PubChem CID4109228
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccccn1
InChIInChI=1S/C14H13BrN2O3S/c15-11-4-6-12(7-5-11)21(19,20)10-8-14(18)17-13-3-1-2-9-16-13/h1-7,9H,8,10H2,(H,16,17,18)
InChIKeyXQMWKJFRCKCREE-UHFFFAOYSA-N
XLogP2.65
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-N-(2-pyridyl)benzenesulfonamide
CID 786085
N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2314215
2-(benzenesulfonyl)-N-(5-chloropyridin-2-yl)acetamide
CID 2985129
N-(5-bromopyridin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 934679
(E)-N-(5-bromopyridin-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 2359236
3-(benzenesulfonyl)-N-(5-chloropyridin-2-yl)propanamide
CID 3163448
N-(5-bromopyridin-2-yl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
CID 3275372
3-[(4-bromophenyl)sulfonyl]-N-(5-methylpyridin-2-yl)propanamide
CID 4085378
N-(5-bromo-2-pyridinyl)-2-(phenylsulfonyl)acetamide
CID 4531342
N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloroacetyl)amino]phenyl]sulfanylacetamide
CID 71580480
2-(benzenesulfonyl)-N-pyridin-2-ylacetamide
CID 974461
N-Pyridin-2-yl-2-(toluene-4-sulfonyl)-acetamide
CID 3163424

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide (CID 4109228) is 3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccccn1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide?
The InChIKey is XQMWKJFRCKCREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c15-11-4-6-12(7-5-11)21(19,20)10-8-14(18)17-13-3-1-2-9-16-13/h1-7,9H,8,10H2,(H,16,17,18).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide?
3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide has a molecular weight of 369.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 4109228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).