N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide

C10H14FNO2S — CID 47371744

IUPACN-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C10H14FNO2S/c1-3-15(13,14)12-7-9-4-5-10(11)8(2)6-9/h4-6,12H,3,7H2,1-2H3
InChIKeyVCTCVPWVHXFSRY-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.57
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide

N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide (PubChem CID 47371744) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide
PubChem CID47371744
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C10H14FNO2S/c1-3-15(13,14)12-7-9-4-5-10(11)8(2)6-9/h4-6,12H,3,7H2,1-2H3
InChIKeyVCTCVPWVHXFSRY-UHFFFAOYSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide (CID 47371744) is N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide?
The InChIKey is VCTCVPWVHXFSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-3-15(13,14)12-7-9-4-5-10(11)8(2)6-9/h4-6,12H,3,7H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide?
N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide has a molecular weight of 231.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 47371744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).