3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide

C15H15BrN2O3S — CID 3456804

IUPAC3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C15H15BrN2O3S/c1-11-3-2-4-14(17-11)18-15(19)9-10-22(20,21)13-7-5-12(16)6-8-13/h2-8H,9-10H2,1H3,(H,17,18,19)
InChIKeyRQZCNQSAFYEYHM-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.96
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 3456804) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID3456804
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C15H15BrN2O3S/c1-11-3-2-4-14(17-11)18-15(19)9-10-22(20,21)13-7-5-12(16)6-8-13/h2-8H,9-10H2,1H3,(H,17,18,19)
InChIKeyRQZCNQSAFYEYHM-UHFFFAOYSA-N
XLogP2.96
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-Methyl-pyridin-2-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 3163423
N-(5-bromo-6-methyl-2-pyridinyl)-2-thiophenecarboxamide
CID 834138
N-(6-methyl-2-pyridinyl)-2-(phenylmethyl)sulfonylacetamide
CID 1094087
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-methyl-N~1~-(6-methyl-2-pyridinyl)glycinamide
CID 2233591
3-[(4-bromophenyl)sulfonyl]-N-(5-methylpyridin-2-yl)propanamide
CID 4085378
N-(5-bromo-2-pyridinyl)-2-(phenylsulfonyl)acetamide
CID 4531342
3-(benzenesulfonyl)-N-(6-methylpyridin-2-yl)propanamide
CID 3163455
3-[(4-bromophenyl)sulfonyl]-N-pyridin-2-ylpropanamide
CID 4109228
3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide
CID 4085492
3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide
CID 4139746
N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide
CID 71985294
2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 24855792

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide (CID 3456804) is 3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is RQZCNQSAFYEYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c1-11-3-2-4-14(17-11)18-15(19)9-10-22(20,21)13-7-5-12(16)6-8-13/h2-8H,9-10H2,1H3,(H,17,18,19).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 383.27 g/mol, XLogP of 2.96, 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-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 3456804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).