3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide

C16H16BrClN2O3S — CID 26692180

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Br)c1)NCc1ccccc1Cl
InChIInChI=1S/C16H16BrClN2O3S/c17-13-5-3-6-14(10-13)24(22,23)20-9-8-16(21)19-11-12-4-1-2-7-15(12)18/h1-7,10,20H,8-9,11H2,(H,19,21)
InChIKeyRDELZDMNUNOSNL-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.09
Rot. Bonds7

About 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide

3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 26692180) has the molecular formula C16H16BrClN2O3S and a molecular weight of 431.74 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID26692180
Molecular FormulaC16H16BrClN2O3S
Molecular Weight431.74 g/mol
Exact Mass429.98
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Br)c1)NCc1ccccc1Cl
InChIInChI=1S/C16H16BrClN2O3S/c17-13-5-3-6-14(10-13)24(22,23)20-9-8-16(21)19-11-12-4-1-2-7-15(12)18/h1-7,10,20H,8-9,11H2,(H,19,21)
InChIKeyRDELZDMNUNOSNL-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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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408273
N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide
CID 9165246
3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide
CID 43011216
N-[(2-chlorophenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26692097
N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639574
3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 55597909
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide
CID 55585732
3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 42053193

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide (CID 26692180) is 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide is O=C(CCNS(=O)(=O)c1cccc(Br)c1)NCc1ccccc1Cl.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is RDELZDMNUNOSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S/c17-13-5-3-6-14(10-13)24(22,23)20-9-8-16(21)19-11-12-4-1-2-7-15(12)18/h1-7,10,20H,8-9,11H2,(H,19,21).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-[(2-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-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 26692180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).