N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

C18H18FNO3S — CID 15995224

IUPACN-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H18FNO3S/c1-13-2-8-16(9-3-13)24(22,23)18(10-11-18)17(21)20-12-14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyXUMDBCPBVZYIND-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.76
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 15995224) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID15995224
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H18FNO3S/c1-13-2-8-16(9-3-13)24(22,23)18(10-11-18)17(21)20-12-14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyXUMDBCPBVZYIND-UHFFFAOYSA-N
XLogP2.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
1-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 4110790
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
N~1~-Cyclohexyl-1-[(4-methylphenyl)sulfonyl]-1-cyclopropanecarboxamide
CID 3434568
N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 759094
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
N-benzyl-2-tosylacetamide
CID 6460081
N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide
CID 2438709
N-benzyl-N-ethyl-2-(phenylsulfonyl)acetamide
CID 2984897
2-(benzenesulfonyl)-N-benzylacetamide
CID 2991483
N-benzyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759101

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (CID 15995224) is N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is XUMDBCPBVZYIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-13-2-8-16(9-3-13)24(22,23)18(10-11-18)17(21)20-12-14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 15995224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).