4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide

C12H18F2N2O3S — CID 120824764

IUPAC4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C12H18F2N2O3S/c1-9(15-2)7-16-20(17,18)11-5-3-10(4-6-11)19-8-12(13)14/h3-6,9,12,15-16H,7-8H2,1-2H3
InChIKeyHJJNFZPVMHTFRK-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.22
Rot. Bonds8

About 4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide

4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120824764) has the molecular formula C12H18F2N2O3S and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120824764
Molecular FormulaC12H18F2N2O3S
Molecular Weight308.35 g/mol
Exact Mass308.10
IUPAC Name4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C12H18F2N2O3S/c1-9(15-2)7-16-20(17,18)11-5-3-10(4-6-11)19-8-12(13)14/h3-6,9,12,15-16H,7-8H2,1-2H3
InChIKeyHJJNFZPVMHTFRK-UHFFFAOYSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 120825445
N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120824647
N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 120824445
4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120825538
4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120877054
4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 120825045
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
4-(2,2-difluoroethoxy)benzenesulfonamide
CID 60923217

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120824764) is 4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1ccc(OCC(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is HJJNFZPVMHTFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O3S/c1-9(15-2)7-16-20(17,18)11-5-3-10(4-6-11)19-8-12(13)14/h3-6,9,12,15-16H,7-8H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide?
4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 308.35 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120824764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).