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

C14H12ClF2NO2S — CID 110780996

IUPAC1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCc1cc(F)ccc1F
InChIInChI=1S/C14H12ClF2NO2S/c15-13-4-2-1-3-10(13)9-21(19,20)18-8-11-7-12(16)5-6-14(11)17/h1-7,18H,8-9H2
InChIKeyIEZHHNFKCXXADS-UHFFFAOYSA-N
MW331.77 g/mol
LogP3.24
Rot. Bonds5

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

1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide (PubChem CID 110780996) has the molecular formula C14H12ClF2NO2S and a molecular weight of 331.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
PubChem CID110780996
Molecular FormulaC14H12ClF2NO2S
Molecular Weight331.77 g/mol
Exact Mass331.02
IUPAC Name1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCc1cc(F)ccc1F
InChIInChI=1S/C14H12ClF2NO2S/c15-13-4-2-1-3-10(13)9-21(19,20)18-8-11-7-12(16)5-6-14(11)17/h1-7,18H,8-9H2
InChIKeyIEZHHNFKCXXADS-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-(2-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]methanesulfonamide
CID 110782254
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 63796032
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]butane-1-sulfonamide
CID 110780977
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
2-[(2-chlorophenyl)methylsulfonylmethyl]-4-fluoroaniline
CID 103288816
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
CID 110319212
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide (CID 110780996) is 1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCc1cc(F)ccc1F.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide?
The InChIKey is IEZHHNFKCXXADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2S/c15-13-4-2-1-3-10(13)9-21(19,20)18-8-11-7-12(16)5-6-14(11)17/h1-7,18H,8-9H2.
What are the key properties of 1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide?
1-(2-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-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 110780996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).