N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide

C12H18F2N2O2S — CID 115409112

IUPACN-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccccc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C12H18F2N2O2S/c1-9(2)15-7-10-5-3-4-6-11(10)19(17,18)16-8-12(13)14/h3-6,9,12,15-16H,7-8H2,1-2H3
InChIKeyVJEHGZGJWOLZNM-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.73
Rot. Bonds7

About N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide

N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 115409112) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID115409112
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC NameN-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccccc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C12H18F2N2O2S/c1-9(2)15-7-10-5-3-4-6-11(10)19(17,18)16-8-12(13)14/h3-6,9,12,15-16H,7-8H2,1-2H3
InChIKeyVJEHGZGJWOLZNM-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406487
N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106032301
N-[3-(dimethylamino)propyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 107962486
N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 115409231
N-(1-methylsulfanylpropan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106079555
N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106031977
N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115409153
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106064198
5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920741
2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064886
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
N-(2,2-difluoroethyl)-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
CID 115409199

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 115409112) is N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide is CC(C)NCc1ccccc1S(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is VJEHGZGJWOLZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-9(2)15-7-10-5-3-4-6-11(10)19(17,18)16-8-12(13)14/h3-6,9,12,15-16H,7-8H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 115409112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).