3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide

C8H8Cl2FNO2S — CID 87814655

IUPAC3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCCF)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2FNO2S/c9-7-2-1-6(5-8(7)10)15(13,14)12-4-3-11/h1-2,5,12H,3-4H2
InChIKeyNNPNBCZFBCMGHD-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.24
Rot. Bonds4

About 3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide

3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide (PubChem CID 87814655) has the molecular formula C8H8Cl2FNO2S and a molecular weight of 272.13 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
PubChem CID87814655
Molecular FormulaC8H8Cl2FNO2S
Molecular Weight272.13 g/mol
Exact Mass270.96
IUPAC Name3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCCF)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2FNO2S/c9-7-2-1-6(5-8(7)10)15(13,14)12-4-3-11/h1-2,5,12H,3-4H2
InChIKeyNNPNBCZFBCMGHD-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
CID 107323042
3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033465
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
3,4-dichloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 2932668
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717587
3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698683
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
3,4-dichlorobenzenesulfonohydrazide
CID 2735965

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide (CID 87814655) is 3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide is O=S(=O)(NCCF)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide?
The InChIKey is NNPNBCZFBCMGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FNO2S/c9-7-2-1-6(5-8(7)10)15(13,14)12-4-3-11/h1-2,5,12H,3-4H2.
What are the key properties of 3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide?
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide has a molecular weight of 272.13 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide is sourced from PubChem (CID 87814655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).