N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide

C16H17ClN2O3S — CID 42064223

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-23(21,22)19-15-8-4-13(5-9-15)16(20)18-11-10-12-2-6-14(17)7-3-12/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyJZYNGDSHVVOPRW-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide

N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide (PubChem CID 42064223) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
PubChem CID42064223
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-23(21,22)19-15-8-4-13(5-9-15)16(20)18-11-10-12-2-6-14(17)7-3-12/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyJZYNGDSHVVOPRW-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-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(methanesulfonamido)benzamide
CID 3691237
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide
CID 67936136
N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 2468773
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
N-[2-[ethyl-[2-[4-(methanesulfonamido)phenyl]ethyl]amino]ethyl]-4-(methanesulfonamido)benzamide
CID 67936156
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate
CID 9268246
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide (CID 42064223) is N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide?
The InChIKey is JZYNGDSHVVOPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-23(21,22)19-15-8-4-13(5-9-15)16(20)18-11-10-12-2-6-14(17)7-3-12/h2-9,19H,10-11H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide?
N-[2-(4-chlorophenyl)ethyl]-4-(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-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 42064223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).