N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide

C19H20ClNO3S — CID 22429142

IUPACN-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClNO3S/c1-2-21(14-15-6-4-3-5-7-15)18(22)19(12-13-19)25(23,24)17-10-8-16(20)9-11-17/h3-11H,2,12-14H2,1H3
InChIKeyKMUUIRNWCBGHQJ-UHFFFAOYSA-N
MW377.89 g/mol
LogP3.69
Rot. Bonds6

About N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide

N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide (PubChem CID 22429142) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide
PubChem CID22429142
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC NameN-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClNO3S/c1-2-21(14-15-6-4-3-5-7-15)18(22)19(12-13-19)25(23,24)17-10-8-16(20)9-11-17/h3-11H,2,12-14H2,1H3
InChIKeyKMUUIRNWCBGHQJ-UHFFFAOYSA-N
XLogP3.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide 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

N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
CID 113151099
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 18148402
4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 55455837
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
1-N'-benzyl-1-N-(3-chloro-4-fluorophenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976566
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)cyclopentane-1-carboxamide
CID 51277668
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
CID 138998278
N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide
CID 124772278
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
CID 108946690
1-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 22429126

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide (CID 22429142) is N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide is CCN(Cc1ccccc1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide?
The InChIKey is KMUUIRNWCBGHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c1-2-21(14-15-6-4-3-5-7-15)18(22)19(12-13-19)25(23,24)17-10-8-16(20)9-11-17/h3-11H,2,12-14H2,1H3.
What are the key properties of N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide?
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide has a molecular weight of 377.89 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 22429142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).