N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide

C15H14FNO4S — CID 153295632

IUPACN-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)CO)cc1
InChIInChI=1S/C15H14FNO4S/c1-10-2-5-12(6-3-10)22(20,21)17-14-7-4-11(16)8-13(14)15(19)9-18/h2-8,17-18H,9H2,1H3
InChIKeyAQMDEZVNLIIMJG-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.11
Rot. Bonds5

About N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide

N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 153295632) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID153295632
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC NameN-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)CO)cc1
InChIInChI=1S/C15H14FNO4S/c1-10-2-5-12(6-3-10)22(20,21)17-14-7-4-11(16)8-13(14)15(19)9-18/h2-8,17-18H,9H2,1H3
InChIKeyAQMDEZVNLIIMJG-UHFFFAOYSA-N
XLogP2.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid
CID 171346728
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
5-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 59566201
5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 82683778
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide
CID 91408660
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide
CID 169225905
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 893384

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide (CID 153295632) is N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)CO)cc1.
What is the InChIKey of N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is AQMDEZVNLIIMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-10-2-5-12(6-3-10)22(20,21)17-14-7-4-11(16)8-13(14)15(19)9-18/h2-8,17-18H,9H2,1H3.
What are the key properties of N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide?
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 323.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 153295632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).