(2,6-difluorophenyl)methanesulfonamide

C7H7F2NO2S — CID 54476729

IUPAC(2,6-difluorophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1c(F)cccc1F
InChIInChI=1S/C7H7F2NO2S/c8-6-2-1-3-7(9)5(6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyXMCMBLABGQFAJA-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.75
Rot. Bonds2

About (2,6-difluorophenyl)methanesulfonamide

(2,6-difluorophenyl)methanesulfonamide (PubChem CID 54476729) has the molecular formula C7H7F2NO2S and a molecular weight of 207.20 g/mol. Its IUPAC name is (2,6-difluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name(2,6-difluorophenyl)methanesulfonamide
PubChem CID54476729
Molecular FormulaC7H7F2NO2S
Molecular Weight207.20 g/mol
Exact Mass207.02
IUPAC Name(2,6-difluorophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1c(F)cccc1F
InChIInChI=1S/C7H7F2NO2S/c8-6-2-1-3-7(9)5(6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyXMCMBLABGQFAJA-UHFFFAOYSA-N
XLogP0.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylmethylsulfonyl Fluoride
CID 4784
Benzylsulfonic acid
CID 7532
Benzenemethanesulfonamide
CID 78318
2-(Trifluoromethyl)benzenesulfonamide
CID 2778018
Phenylmethanesulfonyl chloride
CID 74740
Phenyldifluoromethanesulfonamide
CID 12195854
4-(Trifluoromethyl)benzenesulfonamide
CID 70018
4-Methylphenyl-difluoromethanesulfonamide
CID 44405177
N-Benzylsulfonylhydroxylamin
CID 23645541
Benzeneethanesulfonamide
CID 204808
Sodium benzylsulfonate
CID 23668604
3-Phenylpropane-1-sulfonamide
CID 12574638

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)methanesulfonamide?
The IUPAC name of (2,6-difluorophenyl)methanesulfonamide (CID 54476729) is (2,6-difluorophenyl)methanesulfonamide.
What is the SMILES notation for (2,6-difluorophenyl)methanesulfonamide?
The canonical SMILES for (2,6-difluorophenyl)methanesulfonamide is NS(=O)(=O)Cc1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)methanesulfonamide?
The InChIKey is XMCMBLABGQFAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2S/c8-6-2-1-3-7(9)5(6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of (2,6-difluorophenyl)methanesulfonamide?
(2,6-difluorophenyl)methanesulfonamide has a molecular weight of 207.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)methanesulfonamide is sourced from PubChem (CID 54476729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).