4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide

C14H15NO3S2 — CID 836468

IUPAC4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C14H15NO3S2/c1-18-12-6-8-14(9-7-12)20(16,17)15-11-4-3-5-13(10-11)19-2/h3-10,15H,1-2H3
InChIKeyBHIBISAQWRCMMM-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.22
Rot. Bonds5

About 4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide

4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 836468) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
PubChem CID836468
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C14H15NO3S2/c1-18-12-6-8-14(9-7-12)20(16,17)15-11-4-3-5-13(10-11)19-2/h3-10,15H,1-2H3
InChIKeyBHIBISAQWRCMMM-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(3-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2696922
(4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide
CID 4749902
N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
3-amino-5-fluoro-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 63322037
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide
CID 62163890

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide (CID 836468) is 4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1.
What is the InChIKey of 4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is BHIBISAQWRCMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-18-12-6-8-14(9-7-12)20(16,17)15-11-4-3-5-13(10-11)19-2/h3-10,15H,1-2H3.
What are the key properties of 4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide?
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 309.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 836468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).