N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide

C14H10ClFN2O2S — CID 3451812

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C14H10ClFN2O2S/c15-12-5-3-6-13(16)11(12)9-18-21(19,20)14-7-2-1-4-10(14)8-17/h1-7,18H,9H2
InChIKeyGJPZFDIXGSEEKA-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.83
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide (PubChem CID 3451812) has the molecular formula C14H10ClFN2O2S and a molecular weight of 324.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide
PubChem CID3451812
Molecular FormulaC14H10ClFN2O2S
Molecular Weight324.76 g/mol
Exact Mass324.01
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C14H10ClFN2O2S/c15-12-5-3-6-13(16)11(12)9-18-21(19,20)14-7-2-1-4-10(14)8-17/h1-7,18H,9H2
InChIKeyGJPZFDIXGSEEKA-UHFFFAOYSA-N
XLogP2.83
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide
CID 3840065
N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 5239900
N-(3-chloro-2-fluorophenyl)-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 9146475
2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705303
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917
N-[(3-chloro-2,6-difluorophenyl)methyl]-2-nitrobenzenesulfonamide
CID 3773427
2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 110782386
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide (CID 3451812) is N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide?
The InChIKey is GJPZFDIXGSEEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2S/c15-12-5-3-6-13(16)11(12)9-18-21(19,20)14-7-2-1-4-10(14)8-17/h1-7,18H,9H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide has a molecular weight of 324.76 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide is sourced from PubChem (CID 3451812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).