N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide

C18H20ClNO3S — CID 39932239

IUPACN-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO3S/c1-13(2)24(22,23)17-9-4-3-8-16(17)18(21)20-11-10-14-6-5-7-15(19)12-14/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyRDSKGCLTYPQOHO-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide

N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide (PubChem CID 39932239) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide
PubChem CID39932239
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO3S/c1-13(2)24(22,23)17-9-4-3-8-16(17)18(21)20-11-10-14-6-5-7-15(19)12-14/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyRDSKGCLTYPQOHO-UHFFFAOYSA-N
XLogP3.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide
CID 39730732
N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 129316266
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387
2-benzyl-3-[(2-propan-2-ylsulfonylbenzoyl)amino]propanoic acid
CID 119233678
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide
CID 112529597
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide (CID 39932239) is N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccccc1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide?
The InChIKey is RDSKGCLTYPQOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-13(2)24(22,23)17-9-4-3-8-16(17)18(21)20-11-10-14-6-5-7-15(19)12-14/h3-9,12-13H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide?
N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide has a molecular weight of 365.88 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 39932239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).