4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide

C15H14Cl3NO2S2 — CID 70120495

IUPAC4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide
SMILESO=S(=O)(NCCCSc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl3NO2S2/c16-11-2-5-13(6-3-11)23(20,21)19-8-1-9-22-12-4-7-14(17)15(18)10-12/h2-7,10,19H,1,8-9H2
InChIKeyKOLPOENZPHSPKP-UHFFFAOYSA-N
MW410.78 g/mol
LogP5.11
Rot. Bonds7

About 4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide

4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide (PubChem CID 70120495) has the molecular formula C15H14Cl3NO2S2 and a molecular weight of 410.78 g/mol. Its IUPAC name is 4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide
PubChem CID70120495
Molecular FormulaC15H14Cl3NO2S2
Molecular Weight410.78 g/mol
Exact Mass408.95
IUPAC Name4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide
SMILESO=S(=O)(NCCCSc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl3NO2S2/c16-11-2-5-13(6-3-11)23(20,21)19-8-1-9-22-12-4-7-14(17)15(18)10-12/h2-7,10,19H,1,8-9H2
InChIKeyKOLPOENZPHSPKP-UHFFFAOYSA-N
XLogP5.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.78
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide
CID 28533546
4-chloro-N-[2-(3,5-difluoro-4-hydroxyphenyl)sulfanylethyl]benzenesulfonamide
CID 10339700
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
CID 8801384
3-fluoro-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzenesulfonamide
CID 39632696
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
CID 107323042
4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207459
N-[2-(4-chlorophenyl)sulfanylethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 31078383
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide (CID 70120495) is 4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide is O=S(=O)(NCCCSc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide?
The InChIKey is KOLPOENZPHSPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2S2/c16-11-2-5-13(6-3-11)23(20,21)19-8-1-9-22-12-4-7-14(17)15(18)10-12/h2-7,10,19H,1,8-9H2.
What are the key properties of 4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide?
4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide has a molecular weight of 410.78 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide is sourced from PubChem (CID 70120495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).