4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide

C10H14F2N2O2S — CID 102867736

IUPAC4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(NCc1ccc(S(N)(=O)=O)cc1)C(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-7(10(11)12)14-6-8-2-4-9(5-3-8)17(13,15)16/h2-5,7,10,14H,6H2,1H3,(H2,13,15,16)
InChIKeyBTQDRGKEROGOQJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.08
Rot. Bonds5

About 4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide

4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 102867736) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide
PubChem CID102867736
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(NCc1ccc(S(N)(=O)=O)cc1)C(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-7(10(11)12)14-6-8-2-4-9(5-3-8)17(13,15)16/h2-5,7,10,14H,6H2,1H3,(H2,13,15,16)
InChIKeyBTQDRGKEROGOQJ-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311
(2R)-N-(4-sulfamoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
CID 2455935
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide
CID 43760203
4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide
CID 43192891
4-[[1-(3-bromophenyl)ethylamino]methyl]benzenesulfonamide
CID 43096431
4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide
CID 43093327
4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide
CID 43760215
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
4-[[1-(furan-2-yl)propylamino]methyl]benzenesulfonamide
CID 62632675
2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 60652957
4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732
4-[[(3-chloro-2-methylpropyl)sulfonylamino]methyl]benzenesulfonamide
CID 79580119

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide (CID 102867736) is 4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide is CC(NCc1ccc(S(N)(=O)=O)cc1)C(F)F.
What is the InChIKey of 4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is BTQDRGKEROGOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-7(10(11)12)14-6-8-2-4-9(5-3-8)17(13,15)16/h2-5,7,10,14H,6H2,1H3,(H2,13,15,16).
What are the key properties of 4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide?
4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 264.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 102867736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).