N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide

C16H17ClN2O3S — CID 18114724

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O3S/c1-23(21,22)19-15-7-3-5-13(11-15)16(20)18-9-8-12-4-2-6-14(17)10-12/h2-7,10-11,19H,8-9H2,1H3,(H,18,20)
InChIKeyGVZIVFQLBXPDLV-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide

N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide (PubChem CID 18114724) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
PubChem CID18114724
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O3S/c1-23(21,22)19-15-7-3-5-13(11-15)16(20)18-9-8-12-4-2-6-14(17)10-12/h2-7,10-11,19H,8-9H2,1H3,(H,18,20)
InChIKeyGVZIVFQLBXPDLV-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea
CID 108875433
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 55751801
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
N-[2-(3-chlorophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31251417
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide (CID 18114724) is N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide?
The InChIKey is GVZIVFQLBXPDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-23(21,22)19-15-7-3-5-13(11-15)16(20)18-9-8-12-4-2-6-14(17)10-12/h2-7,10-11,19H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide?
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide has a molecular weight of 352.84 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 18114724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).