N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide

C10H13F2NO3S — CID 54879245

IUPACN-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO3S/c1-2-13(5-6-14)17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7,14H,2,5-6H2,1H3
InChIKeySFLRKOOXTZPZOE-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.97
Rot. Bonds5

About N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide

N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 54879245) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID54879245
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC NameN-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO3S/c1-2-13(5-6-14)17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7,14H,2,5-6H2,1H3
InChIKeySFLRKOOXTZPZOE-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111452
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448131
N,N-diethyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 107650437
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide
CID 54878677
3-fluoro-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483804
4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 103834154
N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 54878655
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102991016
3-(aminomethyl)-N-butyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63288066
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
CID 60979848

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 54879245) is N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide is CCN(CCO)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is SFLRKOOXTZPZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-2-13(5-6-14)17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 265.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 54879245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).