3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide

C10H10Cl3F2NO2S — CID 107492813

IUPAC3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N(CCCl)CC(F)F
InChIInChI=1S/C10H10Cl3F2NO2S/c11-3-4-16(6-10(14)15)19(17,18)7-1-2-8(12)9(13)5-7/h1-2,5,10H,3-4,6H2
InChIKeyOFVLZBDMXYOASB-UHFFFAOYSA-N
MW352.62 g/mol
LogP3.49
Rot. Bonds6

About 3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide

3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide (PubChem CID 107492813) has the molecular formula C10H10Cl3F2NO2S and a molecular weight of 352.62 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
PubChem CID107492813
Molecular FormulaC10H10Cl3F2NO2S
Molecular Weight352.62 g/mol
Exact Mass350.95
IUPAC Name3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N(CCCl)CC(F)F
InChIInChI=1S/C10H10Cl3F2NO2S/c11-3-4-16(6-10(14)15)19(17,18)7-1-2-8(12)9(13)5-7/h1-2,5,10H,3-4,6H2
InChIKeyOFVLZBDMXYOASB-UHFFFAOYSA-N
XLogP3.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(2-chloroethyl)-N-ethylbenzenesulfonamide
CID 63397566
N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide
CID 107492878
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzenesulfonamide
CID 23323135
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,4-dimethylbenzenesulfonamide
CID 107492877
N-(2-bromoethyl)-3,4-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492915
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107483562
4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477991
3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 61138875
3-chloro-N-(2,2-difluoroethyl)-N-methyl-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 107091681
N-(2,2-difluoroethyl)-4-hydroxy-N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 107481597
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine
CID 107488031
3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4661630

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide (CID 107492813) is 3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)c(Cl)c1)N(CCCl)CC(F)F.
What is the InChIKey of 3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide?
The InChIKey is OFVLZBDMXYOASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3F2NO2S/c11-3-4-16(6-10(14)15)19(17,18)7-1-2-8(12)9(13)5-7/h1-2,5,10H,3-4,6H2.
What are the key properties of 3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide?
3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide has a molecular weight of 352.62 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide is sourced from PubChem (CID 107492813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).