1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide

C14H12ClF2NO2S — CID 110780997

IUPAC1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1cc(F)ccc1F
InChIInChI=1S/C14H12ClF2NO2S/c15-12-3-1-10(2-4-12)9-21(19,20)18-8-11-7-13(16)5-6-14(11)17/h1-7,18H,8-9H2
InChIKeyRXSPEXVHBPCVMB-UHFFFAOYSA-N
MW331.77 g/mol
LogP3.24
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide (PubChem CID 110780997) has the molecular formula C14H12ClF2NO2S and a molecular weight of 331.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
PubChem CID110780997
Molecular FormulaC14H12ClF2NO2S
Molecular Weight331.77 g/mol
Exact Mass331.02
IUPAC Name1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1cc(F)ccc1F
InChIInChI=1S/C14H12ClF2NO2S/c15-12-3-1-10(2-4-12)9-21(19,20)18-8-11-7-13(16)5-6-14(11)17/h1-7,18H,8-9H2
InChIKeyRXSPEXVHBPCVMB-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 63796032
1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780996
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide
CID 110780977
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006
N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106065163
N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide
CID 30380870
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110780743

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide (CID 110780997) is 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCc1cc(F)ccc1F.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide?
The InChIKey is RXSPEXVHBPCVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2S/c15-12-3-1-10(2-4-12)9-21(19,20)18-8-11-7-13(16)5-6-14(11)17/h1-7,18H,8-9H2.
What are the key properties of 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide has a molecular weight of 331.77 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 110780997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).