N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide

C17H19ClN2O3S — CID 46587835

IUPACN-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12(13-6-4-8-15(18)10-13)20(2)17(21)14-7-5-9-16(11-14)19-24(3,22)23/h4-12,19H,1-3H3
InChIKeyBKSLZUFRSNOABS-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.54
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide

N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide (PubChem CID 46587835) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
PubChem CID46587835
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12(13-6-4-8-15(18)10-13)20(2)17(21)14-7-5-9-16(11-14)19-24(3,22)23/h4-12,19H,1-3H3
InChIKeyBKSLZUFRSNOABS-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 86925802
N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 46591279
N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 42951669
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880
N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 103612228
N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18119830
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide (CID 46587835) is N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide is CC(c1cccc(Cl)c1)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is BKSLZUFRSNOABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12(13-6-4-8-15(18)10-13)20(2)17(21)14-7-5-9-16(11-14)19-24(3,22)23/h4-12,19H,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 366.87 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 46587835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).