(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide

C12H14BrClN2O3S — CID 47439175

IUPAC(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESC=C(Br)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14BrClN2O3S/c1-8(13)7-15-12(17)9(2)16-20(18,19)11-5-3-10(14)4-6-11/h3-6,9,16H,1,7H2,2H3,(H,15,17)/t9-/m0/s1
InChIKeyJIARUSBFJRNGSF-VIFPVBQESA-N
MW381.68 g/mol
LogP2.03
Rot. Bonds6

About (2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide

(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide (PubChem CID 47439175) has the molecular formula C12H14BrClN2O3S and a molecular weight of 381.68 g/mol. Its IUPAC name is (2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
PubChem CID47439175
Molecular FormulaC12H14BrClN2O3S
Molecular Weight381.68 g/mol
Exact Mass379.96
IUPAC Name(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESC=C(Br)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14BrClN2O3S/c1-8(13)7-15-12(17)9(2)16-20(18,19)11-5-3-10(14)4-6-11/h3-6,9,16H,1,7H2,2H3,(H,15,17)/t9-/m0/s1
InChIKeyJIARUSBFJRNGSF-VIFPVBQESA-N
XLogP2.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.68
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide
CID 55939921
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 55941880
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide (CID 47439175) is (2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide is C=C(Br)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is JIARUSBFJRNGSF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14BrClN2O3S/c1-8(13)7-15-12(17)9(2)16-20(18,19)11-5-3-10(14)4-6-11/h3-6,9,16H,1,7H2,2H3,(H,15,17)/t9-/m0/s1.
What are the key properties of (2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 381.68 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 47439175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).