N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide

C14H13ClFNO2S — CID 3835603

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H13ClFNO2S/c1-10-2-6-13(7-3-10)20(18,19)17-9-11-4-5-12(16)8-14(11)15/h2-8,17H,9H2,1H3
InChIKeyLCGOEHCLWDANQP-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.27
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide

N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 3835603) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID3835603
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H13ClFNO2S/c1-10-2-6-13(7-3-10)20(18,19)17-9-11-4-5-12(16)8-14(11)15/h2-8,17H,9H2,1H3
InChIKeyLCGOEHCLWDANQP-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 3829600
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3338012
N-[2-chloro-4-[(2-chloro-4-fluorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25038184
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
4-methyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3477132
N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide
CID 11771905
N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide
CID 141122633
N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 58009712
2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide
CID 3768405
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
N-[(5-fluoro-2-methylphenyl)methyl]-4-iodobenzenesulfonamide
CID 3682608
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide
CID 63359101

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide (CID 3835603) is N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is LCGOEHCLWDANQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-10-2-6-13(7-3-10)20(18,19)17-9-11-4-5-12(16)8-14(11)15/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 313.78 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3835603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).