3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide

C11H16FNO3S — CID 3835270

IUPAC3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H16FNO3S/c1-2-6-13(7-8-14)17(15,16)11-5-3-4-10(12)9-11/h3-5,9,14H,2,6-8H2,1H3
InChIKeyZQYGLTMBYCQPPO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.22
Rot. Bonds6

About 3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide

3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide (PubChem CID 3835270) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
PubChem CID3835270
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H16FNO3S/c1-2-6-13(7-8-14)17(15,16)11-5-3-4-10(12)9-11/h3-5,9,14H,2,6-8H2,1H3
InChIKeyZQYGLTMBYCQPPO-UHFFFAOYSA-N
XLogP1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-(2-chloroethyl)-3-fluorobenzenesulfonamide
CID 63396722
N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide
CID 61252203
3-fluoro-N-phenyl-N-propylbenzenesulfonamide
CID 142103274
3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103924550
N,N-dipropylbenzenesulfonamide
CID 4053954
5-[2-hydroxyethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 60951704
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245
3-N-ethyl-3-N-propylbenzene-1,3-disulfonamide
CID 43269074
N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448131
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
3-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111452

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide (CID 3835270) is 3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide is CCCN(CCO)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The InChIKey is ZQYGLTMBYCQPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-2-6-13(7-8-14)17(15,16)11-5-3-4-10(12)9-11/h3-5,9,14H,2,6-8H2,1H3.
What are the key properties of 3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 3835270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).