2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide

C10H14FNO3S2 — CID 115763664

IUPAC2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccccc1F)S(C)=O
InChIInChI=1S/C10H14FNO3S2/c1-8(16(2)13)7-12-17(14,15)10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3
InChIKeyRKXSNGAUKJQOTP-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.87
Rot. Bonds5

About 2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide

2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide (PubChem CID 115763664) has the molecular formula C10H14FNO3S2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
PubChem CID115763664
Molecular FormulaC10H14FNO3S2
Molecular Weight279.36 g/mol
Exact Mass279.04
IUPAC Name2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccccc1F)S(C)=O
InChIInChI=1S/C10H14FNO3S2/c1-8(16(2)13)7-12-17(14,15)10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3
InChIKeyRKXSNGAUKJQOTP-UHFFFAOYSA-N
XLogP0.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-methylsulfinylpropyl)-2-nitrobenzenesulfonamide
CID 115763672
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115763694
2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 113483973
5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683197
N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide
CID 177376824
N-[(2R)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide
CID 171714588
4-fluoro-2-methyl-N-(2-methylsulfinylpropyl)-5-nitrobenzenesulfonamide
CID 115967741
2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 90598088
2-fluoro-N-(2-methylpropoxy)benzenesulfonamide
CID 82715459
5-bromo-N-(2-methylsulfinylpropyl)-2-nitrobenzenesulfonamide
CID 115763706
3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 103077682

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide (CID 115763664) is 2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccccc1F)S(C)=O.
What is the InChIKey of 2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide?
The InChIKey is RKXSNGAUKJQOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S2/c1-8(16(2)13)7-12-17(14,15)10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide?
2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 0.87, 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-methylsulfinylpropyl)benzenesulfonamide is sourced from PubChem (CID 115763664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).