N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide

C17H16Cl2FNO3S — CID 44569557

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2FNO3S/c1-17(2,25(23,24)13-6-4-12(18)5-7-13)16(22)21-10-11-3-8-15(20)14(19)9-11/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyIXKFOAYMHDSEDQ-UHFFFAOYSA-N
MW404.29 g/mol
LogP4.00
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide

N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 44569557) has the molecular formula C17H16Cl2FNO3S and a molecular weight of 404.29 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
PubChem CID44569557
Molecular FormulaC17H16Cl2FNO3S
Molecular Weight404.29 g/mol
Exact Mass403.02
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2FNO3S/c1-17(2,25(23,24)13-6-4-12(18)5-7-13)16(22)21-10-11-3-8-15(20)14(19)9-11/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyIXKFOAYMHDSEDQ-UHFFFAOYSA-N
XLogP4.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-({4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluorophenyl)cyclohexyl}methyl)acetamide
CID 21963984
2-(benzylsulfonyl)-N-(2-chlorobenzyl)acetamide
CID 2210190
3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
CID 2265248
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 2265253
1-(4-Chloro-benzenesulfonyl)-piperidine-4-carboxylic acid 4-fluoro-benzylamide
CID 2668514
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide
CID 4786870
N-(3-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 8071772
1-[(4-chlorophenyl)sulfonyl]-N-(1-phenylethyl)cyclopropanecarboxamide
CID 12005151
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
CID 15994262
N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
CID 20968320
(S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)phenylsulfonyl)phenyl)ethyl)acetamide
CID 44440480
N-(2-chlorobenzyl)-3-[(2-fluorobenzyl)sulfonyl]propanamide
CID 4148310

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide (CID 44569557) is N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide is CC(C)(C(=O)NCc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is IXKFOAYMHDSEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO3S/c1-17(2,25(23,24)13-6-4-12(18)5-7-13)16(22)21-10-11-3-8-15(20)14(19)9-11/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 404.29 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 44569557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).