N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

C16H17BrN2O3S — CID 9341195

IUPACN-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O3S/c1-12-2-8-15(9-3-12)23(21,22)18-11-10-16(20)19-14-6-4-13(17)5-7-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyPPSLJLZHLIJGGB-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.06
Rot. Bonds6

About N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 9341195) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID9341195
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O3S/c1-12-2-8-15(9-3-12)23(21,22)18-11-10-16(20)19-14-6-4-13(17)5-7-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyPPSLJLZHLIJGGB-UHFFFAOYSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 9341195) is N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is PPSLJLZHLIJGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-12-2-8-15(9-3-12)23(21,22)18-11-10-16(20)19-14-6-4-13(17)5-7-14/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 397.29 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 9341195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).