3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide

C16H16BrClN2O3S — CID 4284597

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClN2O3S/c17-13-3-7-15(8-4-13)24(22,23)20-10-9-16(21)19-11-12-1-5-14(18)6-2-12/h1-8,20H,9-11H2,(H,19,21)
InChIKeyLNASIENRJZIUEO-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.09
Rot. Bonds7

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

3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 4284597) has the molecular formula C16H16BrClN2O3S and a molecular weight of 431.74 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID4284597
Molecular FormulaC16H16BrClN2O3S
Molecular Weight431.74 g/mol
Exact Mass429.98
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClN2O3S/c17-13-3-7-15(8-4-13)24(22,23)20-10-9-16(21)19-11-12-1-5-14(18)6-2-12/h1-8,20H,9-11H2,(H,19,21)
InChIKeyLNASIENRJZIUEO-UHFFFAOYSA-N
XLogP3.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide (CID 4284597) is 3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is LNASIENRJZIUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S/c17-13-3-7-15(8-4-13)24(22,23)20-10-9-16(21)19-11-12-1-5-14(18)6-2-12/h1-8,20H,9-11H2,(H,19,21).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 431.74 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 4284597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).