2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide

C12H15BrN2O3S — CID 4531040

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O3S/c1-3-8-14-12(16)9(2)15-19(17,18)11-6-4-10(13)5-7-11/h3-7,9,15H,1,8H2,2H3,(H,14,16)
InChIKeyOADROGBYWRVAQK-UHFFFAOYSA-N
MW347.23 g/mol
LogP1.42
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide

2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide (PubChem CID 4531040) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide
PubChem CID4531040
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O3S/c1-3-8-14-12(16)9(2)15-19(17,18)11-6-4-10(13)5-7-11/h3-7,9,15H,1,8H2,2H3,(H,14,16)
InChIKeyOADROGBYWRVAQK-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 1093339
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
CID 40616001
2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 4234140

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide (CID 4531040) is 2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide?
The InChIKey is OADROGBYWRVAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-3-8-14-12(16)9(2)15-19(17,18)11-6-4-10(13)5-7-11/h3-7,9,15H,1,8H2,2H3,(H,14,16).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide?
2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide has a molecular weight of 347.23 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 4531040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).