3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide

C14H14BrNO4S — CID 4253422

IUPAC3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)NCc1ccco1
InChIInChI=1S/C14H14BrNO4S/c15-11-3-5-13(6-4-11)21(18,19)9-7-14(17)16-10-12-2-1-8-20-12/h1-6,8H,7,9-10H2,(H,16,17)
InChIKeySYXJJFGYUDWBDT-UHFFFAOYSA-N
MW372.24 g/mol
LogP2.52
Rot. Bonds6

About 3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 4253422) has the molecular formula C14H14BrNO4S and a molecular weight of 372.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide
PubChem CID4253422
Molecular FormulaC14H14BrNO4S
Molecular Weight372.24 g/mol
Exact Mass370.98
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)NCc1ccco1
InChIInChI=1S/C14H14BrNO4S/c15-11-3-5-13(6-4-11)21(18,19)9-7-14(17)16-10-12-2-1-8-20-12/h1-6,8H,7,9-10H2,(H,16,17)
InChIKeySYXJJFGYUDWBDT-UHFFFAOYSA-N
XLogP2.52
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Furan-2-ylmethyl-2-phenylsulfanyl-acetamide
CID 800685
1-[(4-bromophenyl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 1327632
N-[2-(phenylsulfanyl)ethyl]furan-2-carboxamide
CID 644444
5-bromo-N-(2-furylmethyl)-2-thiophenecarboxamide
CID 1245863
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 2337948
1-[(4-bromophenyl)sulfonyl]-N-(2-furylmethyl)-3-piperidinecarboxamide
CID 2981677
2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 3157968
N-(2-methoxyethyl)-5-[(phenylsulfonyl)methyl]-2-furamide
CID 3239466
3-[(5-bromothien-2-yl)sulfonyl]-N-[(5-methyl-2-furyl)methyl]propanamide
CID 3242257
Azepan-1-yl-[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]methanone
CID 5307262
[5-[(4-Bromophenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 5307777
5-[(4-Bromobenzenesulfonyl)methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 5307960

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide (CID 4253422) is 3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)NCc1ccco1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide?
The InChIKey is SYXJJFGYUDWBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4S/c15-11-3-5-13(6-4-11)21(18,19)9-7-14(17)16-10-12-2-1-8-20-12/h1-6,8H,7,9-10H2,(H,16,17).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 372.24 g/mol, XLogP of 2.52, 6 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-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 4253422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).