N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide

C10H12FNO2S — CID 59156661

IUPACN-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
SMILESC/C=C/c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C10H12FNO2S/c1-3-4-8-5-6-10(9(11)7-8)12-15(2,13)14/h3-7,12H,1-2H3/b4-3+
InChIKeyRZZWZEHYFZUOJJ-ONEGZZNKSA-N
MW229.28 g/mol
LogP2.23
Rot. Bonds3

About N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide

N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide (PubChem CID 59156661) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
PubChem CID59156661
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC NameN-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
SMILESC/C=C/c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C10H12FNO2S/c1-3-4-8-5-6-10(9(11)7-8)12-15(2,13)14/h3-7,12H,1-2H3/b4-3+
InChIKeyRZZWZEHYFZUOJJ-ONEGZZNKSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64786305
N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
CID 59156553
N-[4-(cyanomethyl)-2-fluorophenyl]methanesulfonamide
CID 91179727
3-[4-(ethylsulfonylamino)-3-fluorophenyl]prop-2-enoic acid
CID 54971236
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
(E)-3-(4-chlorophenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enethioamide
CID 11855578
N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11361715
(E)-3-[4-(difluoromethylsulfonylamino)-3-fluorophenyl]prop-2-enoic acid
CID 109375031
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
CID 68721183
3-[3-fluoro-4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]prop-2-enoic acid
CID 76906743
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide
CID 60813247
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 57401816

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide (CID 59156661) is N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide is C/C=C/c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide?
The InChIKey is RZZWZEHYFZUOJJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-3-4-8-5-6-10(9(11)7-8)12-15(2,13)14/h3-7,12H,1-2H3/b4-3+.
What are the key properties of N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide?
N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide has a molecular weight of 229.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide is sourced from PubChem (CID 59156661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).