N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide

C17H16Cl2FNO2S — CID 56582102

IUPACN-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C17H16Cl2FNO2S/c18-15-8-5-12(9-16(15)19)11-24(22,23)21(14-6-7-14)10-13-3-1-2-4-17(13)20/h1-5,8-9,14H,6-7,10-11H2
InChIKeyAVGJPIHEYSZMJV-UHFFFAOYSA-N
MW388.29 g/mol
LogP4.63
Rot. Bonds6

About N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide

N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide (PubChem CID 56582102) has the molecular formula C17H16Cl2FNO2S and a molecular weight of 388.29 g/mol. Its IUPAC name is N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
PubChem CID56582102
Molecular FormulaC17H16Cl2FNO2S
Molecular Weight388.29 g/mol
Exact Mass387.03
IUPAC NameN-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C17H16Cl2FNO2S/c18-15-8-5-12(9-16(15)19)11-24(22,23)21(14-6-7-14)10-13-3-1-2-4-17(13)20/h1-5,8-9,14H,6-7,10-11H2
InChIKeyAVGJPIHEYSZMJV-UHFFFAOYSA-N
XLogP4.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide (CID 56582102) is N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is AVGJPIHEYSZMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO2S/c18-15-8-5-12(9-16(15)19)11-24(22,23)21(14-6-7-14)10-13-3-1-2-4-17(13)20/h1-5,8-9,14H,6-7,10-11H2.
What are the key properties of N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide has a molecular weight of 388.29 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 56582102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).