3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide

C14H12BrClN2O3S — CID 4139746

IUPAC3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H12BrClN2O3S/c15-10-1-4-12(5-2-10)22(20,21)8-7-14(19)18-13-6-3-11(16)9-17-13/h1-6,9H,7-8H2,(H,17,18,19)
InChIKeyPILCNRKXJUQBGT-UHFFFAOYSA-N
MW403.69 g/mol
LogP3.30
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide (PubChem CID 4139746) has the molecular formula C14H12BrClN2O3S and a molecular weight of 403.69 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide
PubChem CID4139746
Molecular FormulaC14H12BrClN2O3S
Molecular Weight403.69 g/mol
Exact Mass401.94
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H12BrClN2O3S/c15-10-1-4-12(5-2-10)22(20,21)8-7-14(19)18-13-6-3-11(16)9-17-13/h1-6,9H,7-8H2,(H,17,18,19)
InChIKeyPILCNRKXJUQBGT-UHFFFAOYSA-N
XLogP3.30
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.69
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide (CID 4139746) is 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cn1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide?
The InChIKey is PILCNRKXJUQBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O3S/c15-10-1-4-12(5-2-10)22(20,21)8-7-14(19)18-13-6-3-11(16)9-17-13/h1-6,9H,7-8H2,(H,17,18,19).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)propanamide has a molecular weight of 403.69 g/mol, XLogP of 3.30, 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-(5-chloro-2-pyridinyl)propanamide is sourced from PubChem (CID 4139746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).