N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

C18H18ClNO3S — CID 15989036

IUPACN-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1
InChIInChI=1S/C18H18ClNO3S/c1-12-3-7-15(8-4-12)24(22,23)18(9-10-18)17(21)20-14-6-5-13(2)16(19)11-14/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyGPTUKPQVZHDYBG-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.90
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 15989036) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID15989036
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1
InChIInChI=1S/C18H18ClNO3S/c1-12-3-7-15(8-4-12)24(22,23)18(9-10-18)17(21)20-14-6-5-13(2)16(19)11-14/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyGPTUKPQVZHDYBG-UHFFFAOYSA-N
XLogP3.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(phenylsulfonyl)acetamide
CID 892315
1-[(4-methylphenyl)sulfonyl]-N-[3-(methylthio)phenyl]cyclopropanecarboxamide
CID 6621576
2-(4-chlorophenylsulfonyl)-2-methyl-N-(3-(trifluoromethyl)phenyl)propanamide
CID 44569507
2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide
CID 44569508
N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71283712
N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71283813
N-[3-chloro-4-(2-chlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285798
N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285820
N-[3-chloro-4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289906
N-[4-[[benzyl(propyl)amino]methyl]-3,5-dichlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738514
N-[4-[[benzyl(propyl)amino]methyl]-3-chlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738516
N-[4-[[(2-chlorophenyl)methyl-propylamino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738542

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (CID 15989036) is N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is GPTUKPQVZHDYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-12-3-7-15(8-4-12)24(22,23)18(9-10-18)17(21)20-14-6-5-13(2)16(19)11-14/h3-8,11H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 15989036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).