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

C11H16FNO3S — CID 118740634

IUPAC3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1c(F)cccc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C11H16FNO3S/c1-8(14)7-13(3)17(15,16)11-6-4-5-10(12)9(11)2/h4-6,8,14H,7H2,1-3H3
InChIKeyOCAQRZAWMDBVDW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.14
Rot. Bonds4

About 3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide

3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 118740634) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
PubChem CID118740634
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1c(F)cccc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C11H16FNO3S/c1-8(14)7-13(3)17(15,16)11-6-4-5-10(12)9(11)2/h4-6,8,14H,7H2,1-3H3
InChIKeyOCAQRZAWMDBVDW-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide (CID 118740634) is 3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide is Cc1c(F)cccc1S(=O)(=O)N(C)CC(C)O.
What is the InChIKey of 3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is OCAQRZAWMDBVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-8(14)7-13(3)17(15,16)11-6-4-5-10(12)9(11)2/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide?
3-fluoro-N-(2-hydroxypropyl)-N,2-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 3-fluoro-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 118740634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).