2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide

C8H8ClF2NO2S — CID 21284138

IUPAC2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide
SMILESCN(C(F)F)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C8H8ClF2NO2S/c1-12(8(10)11)15(13,14)7-5-3-2-4-6(7)9/h2-5,8H,1H3
InChIKeyQYUOKAGGHJTWKR-UHFFFAOYSA-N
MW255.67 g/mol
LogP2.18
Rot. Bonds3

About 2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide

2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide (PubChem CID 21284138) has the molecular formula C8H8ClF2NO2S and a molecular weight of 255.67 g/mol. Its IUPAC name is 2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide
PubChem CID21284138
Molecular FormulaC8H8ClF2NO2S
Molecular Weight255.67 g/mol
Exact Mass254.99
IUPAC Name2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide
SMILESCN(C(F)F)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C8H8ClF2NO2S/c1-12(8(10)11)15(13,14)7-5-3-2-4-6(7)9/h2-5,8H,1H3
InChIKeyQYUOKAGGHJTWKR-UHFFFAOYSA-N
XLogP2.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide
CID 104556414
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387781
N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide
CID 47387730
2-(2-chlorophenyl)sulfonylbutan-1-amine
CID 64699189
2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79110620
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 78793216
2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide
CID 63397021
2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 7937794

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide (CID 21284138) is 2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide is CN(C(F)F)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide?
The InChIKey is QYUOKAGGHJTWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO2S/c1-12(8(10)11)15(13,14)7-5-3-2-4-6(7)9/h2-5,8H,1H3.
What are the key properties of 2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide?
2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide has a molecular weight of 255.67 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 21284138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).