N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide

C14H12Cl2FNO2S — CID 3716160

IUPACN-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C14H12Cl2FNO2S/c15-13-6-1-10(9-14(13)16)7-8-18-21(19,20)12-4-2-11(17)3-5-12/h1-6,9,18H,7-8H2
InChIKeyMWNBKOCSHSPRJI-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.65
Rot. Bonds5

About N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide

N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 3716160) has the molecular formula C14H12Cl2FNO2S and a molecular weight of 348.23 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID3716160
Molecular FormulaC14H12Cl2FNO2S
Molecular Weight348.23 g/mol
Exact Mass346.99
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C14H12Cl2FNO2S/c15-13-6-1-10(9-14(13)16)7-8-18-21(19,20)12-4-2-11(17)3-5-12/h1-6,9,18H,7-8H2
InChIKeyMWNBKOCSHSPRJI-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 3687846
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791236
3,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 43008790
6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64606219
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 11978291
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 70357784
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide
CID 110790458
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,4-dichlorobenzenesulfonamide
CID 3807874

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide (CID 3716160) is N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is MWNBKOCSHSPRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO2S/c15-13-6-1-10(9-14(13)16)7-8-18-21(19,20)12-4-2-11(17)3-5-12/h1-6,9,18H,7-8H2.
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide?
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 348.23 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3716160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).