4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide

C20H18ClNO2S2 — CID 10644882

IUPAC4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide
SMILESO=S(=O)(N=S(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2S2/c21-19-11-13-20(14-12-19)26(23,24)22-25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyKCCKMLMVKRTQLC-UHFFFAOYSA-N
MW403.96 g/mol
LogP5.23
Rot. Bonds6

About 4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide

4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide (PubChem CID 10644882) has the molecular formula C20H18ClNO2S2 and a molecular weight of 403.96 g/mol. Its IUPAC name is 4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide
PubChem CID10644882
Molecular FormulaC20H18ClNO2S2
Molecular Weight403.96 g/mol
Exact Mass403.05
IUPAC Name4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide
SMILESO=S(=O)(N=S(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2S2/c21-19-11-13-20(14-12-19)26(23,24)22-25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyKCCKMLMVKRTQLC-UHFFFAOYSA-N
XLogP5.23
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.96
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide (CID 10644882) is 4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide is O=S(=O)(N=S(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide?
The InChIKey is KCCKMLMVKRTQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S2/c21-19-11-13-20(14-12-19)26(23,24)22-25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2.
What are the key properties of 4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide?
4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide has a molecular weight of 403.96 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide is sourced from PubChem (CID 10644882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).