N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide

C11H16F2N2O3S — CID 107485944

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H16F2N2O3S/c1-14-9-4-2-3-5-10(9)19(17,18)15(6-7-16)8-11(12)13/h2-5,11,14,16H,6-8H2,1H3
InChIKeyLQYLLRRRMDHMTM-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.98
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide (PubChem CID 107485944) has the molecular formula C11H16F2N2O3S and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide
PubChem CID107485944
Molecular FormulaC11H16F2N2O3S
Molecular Weight294.32 g/mol
Exact Mass294.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H16F2N2O3S/c1-14-9-4-2-3-5-10(9)19(17,18)15(6-7-16)8-11(12)13/h2-5,11,14,16H,6-8H2,1H3
InChIKeyLQYLLRRRMDHMTM-UHFFFAOYSA-N
XLogP0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide
CID 107485934
N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide
CID 102996705
N,N-bis(2-hydroxyethyl)-3-(methylamino)-2-nitrobenzenesulfonamide
CID 115993466
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 107481586
4-amino-2-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107478030
3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477979
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107479241
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 107483531
5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107483631
N-(2,2-difluoroethyl)-2-fluoro-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
CID 107483565

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide (CID 107485944) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide?
The InChIKey is LQYLLRRRMDHMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3S/c1-14-9-4-2-3-5-10(9)19(17,18)15(6-7-16)8-11(12)13/h2-5,11,14,16H,6-8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide has a molecular weight of 294.32 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 107485944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).