N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide

C21H21NO4S2 — CID 1216338

IUPACN-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccc(S(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21NO4S2/c1-16-4-14-21(15-5-16)28(23,24)22-27(19-10-6-17(25-2)7-11-19)20-12-8-18(26-3)9-13-20/h4-15H,1-3H3
InChIKeyITISDMTZYBOHQS-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.62
Rot. Bonds6

About N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide

N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 1216338) has the molecular formula C21H21NO4S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID1216338
Molecular FormulaC21H21NO4S2
Molecular Weight415.54 g/mol
Exact Mass415.09
IUPAC NameN-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccc(S(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21NO4S2/c1-16-4-14-21(15-5-16)28(23,24)22-27(19-10-6-17(25-2)7-11-19)20-12-8-18(26-3)9-13-20/h4-15H,1-3H3
InChIKeyITISDMTZYBOHQS-UHFFFAOYSA-N
XLogP4.62
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide (CID 1216338) is N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide is COc1ccc(S(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is ITISDMTZYBOHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S2/c1-16-4-14-21(15-5-16)28(23,24)22-27(19-10-6-17(25-2)7-11-19)20-12-8-18(26-3)9-13-20/h4-15H,1-3H3.
What are the key properties of N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide?
N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 415.54 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1216338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).