3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide

C17H18Cl2N2O3S — CID 43006985

IUPAC3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12(13-7-8-15(18)16(19)11-13)21-17(22)9-10-20-25(23,24)14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3,(H,21,22)
InChIKeyXCIDLLNDXQWEDU-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.54
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide

3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide (PubChem CID 43006985) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
PubChem CID43006985
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12(13-7-8-15(18)16(19)11-13)21-17(22)9-10-20-25(23,24)14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3,(H,21,22)
InChIKeyXCIDLLNDXQWEDU-UHFFFAOYSA-N
XLogP3.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
N-[1-(2-chlorophenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24543985
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide
CID 60522060
3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9367334
N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 55576753
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
CID 55948237
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24550136
3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414686

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide (CID 43006985) is 3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide is CC(NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide?
The InChIKey is XCIDLLNDXQWEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-12(13-7-8-15(18)16(19)11-13)21-17(22)9-10-20-25(23,24)14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3,(H,21,22).
What are the key properties of 3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide?
3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide has a molecular weight of 401.32 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide is sourced from PubChem (CID 43006985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).