2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide

C15H16FNO3S — CID 111104648

IUPAC2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)c2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNO3S/c1-12-7-8-15(14(16)11-12)21(19,20)17(9-10-18)13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3
InChIKeyJZOWEYKIJIOQPQ-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.32
Rot. Bonds5

About 2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide

2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 111104648) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide
PubChem CID111104648
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)c2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNO3S/c1-12-7-8-15(14(16)11-12)21(19,20)17(9-10-18)13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3
InChIKeyJZOWEYKIJIOQPQ-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 38868903
2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 118740633
3-(N-(2-bromo-4-methylphenyl)sulfonylanilino)propanamide
CID 38893058
N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide
CID 25487605
2-fluoro-1-(2-fluorophenyl)sulfonyl-4-methylbenzene
CID 162721199
N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
CID 38869062
N-benzyl-2-bromo-4-methyl-N-phenylbenzenesulfonamide
CID 113232443
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796017
2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
CID 94824462
2-fluoro-N-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 46152535
N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide
CID 3706329
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide (CID 111104648) is 2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCO)c2ccccc2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is JZOWEYKIJIOQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-12-7-8-15(14(16)11-12)21(19,20)17(9-10-18)13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3.
What are the key properties of 2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide?
2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 111104648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).