N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide

C17H18BrClN2O3S — CID 55576753

IUPACN-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C17H18BrClN2O3S/c1-12(13-5-4-6-14(18)11-13)21-17(22)9-10-20-25(23,24)16-8-3-2-7-15(16)19/h2-8,11-12,20H,9-10H2,1H3,(H,21,22)
InChIKeyANMACFAJUXDCPV-UHFFFAOYSA-N
MW445.77 g/mol
LogP3.65
Rot. Bonds7

About N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide

N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide (PubChem CID 55576753) has the molecular formula C17H18BrClN2O3S and a molecular weight of 445.77 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
PubChem CID55576753
Molecular FormulaC17H18BrClN2O3S
Molecular Weight445.77 g/mol
Exact Mass443.99
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C17H18BrClN2O3S/c1-12(13-5-4-6-14(18)11-13)21-17(22)9-10-20-25(23,24)16-8-3-2-7-15(16)19/h2-8,11-12,20H,9-10H2,1H3,(H,21,22)
InChIKeyANMACFAJUXDCPV-UHFFFAOYSA-N
XLogP3.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.77
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
CID 55948237
N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 55349114
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55933849
N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 43873841
3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
CID 43006985
N-[1-(3-bromophenyl)ethyl]-4-chlorobutanamide
CID 63307697
3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
CID 55376241
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 28555896
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide
CID 28556470
3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112763964
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide (CID 55576753) is N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide is CC(NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is ANMACFAJUXDCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O3S/c1-12(13-5-4-6-14(18)11-13)21-17(22)9-10-20-25(23,24)16-8-3-2-7-15(16)19/h2-8,11-12,20H,9-10H2,1H3,(H,21,22).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide?
N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 445.77 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55576753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).