N-(1,3-difluoropropan-2-yl)benzenesulfonamide

C9H11F2NO2S — CID 67606525

IUPACN-(1,3-difluoropropan-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC(CF)CF)c1ccccc1
InChIInChI=1S/C9H11F2NO2S/c10-6-8(7-11)12-15(13,14)9-4-2-1-3-5-9/h1-5,8,12H,6-7H2
InChIKeyMOHVLUAXQRXCFI-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.27
Rot. Bonds5

About N-(1,3-difluoropropan-2-yl)benzenesulfonamide

N-(1,3-difluoropropan-2-yl)benzenesulfonamide (PubChem CID 67606525) has the molecular formula C9H11F2NO2S and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(1,3-difluoropropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-difluoropropan-2-yl)benzenesulfonamide
PubChem CID67606525
Molecular FormulaC9H11F2NO2S
Molecular Weight235.25 g/mol
Exact Mass235.05
IUPAC NameN-(1,3-difluoropropan-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC(CF)CF)c1ccccc1
InChIInChI=1S/C9H11F2NO2S/c10-6-8(7-11)12-15(13,14)9-4-2-1-3-5-9/h1-5,8,12H,6-7H2
InChIKeyMOHVLUAXQRXCFI-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-nonan-4-ylbenzenesulfonamide
CID 174769116
N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 66730592
N-(1-chlorohex-5-en-2-yl)benzenesulfonamide
CID 71390492
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
CID 114150891
N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
CID 67266397
N-(1-bromo-3-phenylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 114296925
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 13293562
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
[benzenesulfonamido(phosphono)methyl]phosphonic acid
CID 10068042

Frequently Asked Questions

What is the IUPAC name of N-(1,3-difluoropropan-2-yl)benzenesulfonamide?
The IUPAC name of N-(1,3-difluoropropan-2-yl)benzenesulfonamide (CID 67606525) is N-(1,3-difluoropropan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-difluoropropan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3-difluoropropan-2-yl)benzenesulfonamide is O=S(=O)(NC(CF)CF)c1ccccc1.
What is the InChIKey of N-(1,3-difluoropropan-2-yl)benzenesulfonamide?
The InChIKey is MOHVLUAXQRXCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2S/c10-6-8(7-11)12-15(13,14)9-4-2-1-3-5-9/h1-5,8,12H,6-7H2.
What are the key properties of N-(1,3-difluoropropan-2-yl)benzenesulfonamide?
N-(1,3-difluoropropan-2-yl)benzenesulfonamide has a molecular weight of 235.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-difluoropropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 67606525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).