N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide

C16H16BrNO3S — CID 4547649

IUPACN-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C16H16BrNO3S/c1-12-6-8-13(9-7-12)22(20,21)11-10-16(19)18-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyDLRCATZRDLOBCM-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.56
Rot. Bonds5

About N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 4547649) has the molecular formula C16H16BrNO3S and a molecular weight of 382.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID4547649
Molecular FormulaC16H16BrNO3S
Molecular Weight382.28 g/mol
Exact Mass381.00
IUPAC NameN-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C16H16BrNO3S/c1-12-6-8-13(9-7-12)22(20,21)11-10-16(19)18-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyDLRCATZRDLOBCM-UHFFFAOYSA-N
XLogP3.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 26727449
N-(2-bromophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1319136
N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101952
N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55340437
N-(2-bromophenyl)-3-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46355041
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 25161687
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656
N-[(2S)-butan-2-yl]-2-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 39996049
N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345310

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 4547649) is N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is DLRCATZRDLOBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S/c1-12-6-8-13(9-7-12)22(20,21)11-10-16(19)18-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 382.28 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 4547649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).