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

C14H14FNO2S — CID 2165167

IUPACN-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-9,16H,10H2,1H3
InChIKeyHRVIVIGZQNAJNW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.61
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 2165167) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID2165167
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-9,16H,10H2,1H3
InChIKeyHRVIVIGZQNAJNW-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide (CID 2165167) is N-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is HRVIVIGZQNAJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-9,16H,10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
N-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 279.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2165167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).