4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide

C14H16N2O5S3 — CID 19594478

IUPAC4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide
SMILESCOc1ccc(Sc2cc(S(N)(=O)=O)ccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C14H16N2O5S3/c1-21-10-3-5-11(6-4-10)22-14-9-12(24(15,19)20)7-8-13(14)16-23(2,17)18/h3-9,16H,1-2H3,(H2,15,19,20)
InChIKeyRUQFLRWENLUJFP-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.87
Rot. Bonds6

About 4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide

4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide (PubChem CID 19594478) has the molecular formula C14H16N2O5S3 and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide
PubChem CID19594478
Molecular FormulaC14H16N2O5S3
Molecular Weight388.49 g/mol
Exact Mass388.02
IUPAC Name4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide
SMILESCOc1ccc(Sc2cc(S(N)(=O)=O)ccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C14H16N2O5S3/c1-21-10-3-5-11(6-4-10)22-14-9-12(24(15,19)20)7-8-13(14)16-23(2,17)18/h3-9,16H,1-2H3,(H2,15,19,20)
InChIKeyRUQFLRWENLUJFP-UHFFFAOYSA-N
XLogP1.87
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide
CID 82901760
3-cyclohexylsulfanyl-4-(methanesulfonamido)benzenesulfonamide
CID 19594489
1-(4-methoxyphenyl)sulfanyl-4-methylsulfonyl-2-nitrobenzene
CID 9172407
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
3-amino-4-(3-methoxyphenyl)sulfanylbenzenesulfonamide
CID 43331004
3-cyano-4-[3-(4-methoxyphenyl)butylamino]benzenesulfonamide
CID 133353575
N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide
CID 20504403
N-(2-formyl-4-methoxyphenyl)methanesulfonamide
CID 131493986
N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 168515675
4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide
CID 43745796
4-amino-3-phenylsulfanylbenzenesulfonamide
CID 82899045

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide?
The IUPAC name of 4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide (CID 19594478) is 4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide.
What is the SMILES notation for 4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide?
The canonical SMILES for 4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide is COc1ccc(Sc2cc(S(N)(=O)=O)ccc2NS(C)(=O)=O)cc1.
What is the InChIKey of 4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide?
The InChIKey is RUQFLRWENLUJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S3/c1-21-10-3-5-11(6-4-10)22-14-9-12(24(15,19)20)7-8-13(14)16-23(2,17)18/h3-9,16H,1-2H3,(H2,15,19,20).
What are the key properties of 4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide?
4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanylbenzenesulfonamide is sourced from PubChem (CID 19594478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).