2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide

C11H16FNO3S — CID 118740633

IUPAC2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(C)O)c(F)c1
InChIInChI=1S/C11H16FNO3S/c1-8-4-5-11(10(12)6-8)17(15,16)13(3)7-9(2)14/h4-6,9,14H,7H2,1-3H3
InChIKeyQGXFSDKKQUVWML-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.14
Rot. Bonds4

About 2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide

2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 118740633) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
PubChem CID118740633
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(C)O)c(F)c1
InChIInChI=1S/C11H16FNO3S/c1-8-4-5-11(10(12)6-8)17(15,16)13(3)7-9(2)14/h4-6,9,14H,7H2,1-3H3
InChIKeyQGXFSDKKQUVWML-UHFFFAOYSA-N
XLogP1.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide
CID 63766579
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007
2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333139
3-amino-4-fluoro-N-(2-hydroxypropyl)-N,2,6-trimethylbenzenesulfonamide
CID 107325795
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
CID 62334094
2-fluoro-N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 99801961
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 111104648
2,4-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54999282
N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide
CID 167780707
3-amino-4-[2-hydroxypropyl(methyl)sulfamoyl]benzoic acid
CID 81471129

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide (CID 118740633) is 2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(C)O)c(F)c1.
What is the InChIKey of 2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is QGXFSDKKQUVWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-8-4-5-11(10(12)6-8)17(15,16)13(3)7-9(2)14/h4-6,9,14H,7H2,1-3H3.
What are the key properties of 2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 118740633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).