3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide

C14H15NO3S2 — CID 45369226

IUPAC3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccccc2SC)c1
InChIInChI=1S/C14H15NO3S2/c1-18-11-6-5-7-12(10-11)20(16,17)15-13-8-3-4-9-14(13)19-2/h3-10,15H,1-2H3
InChIKeyVCBMIFXOTLVPFA-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.22
Rot. Bonds5

About 3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide

3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 45369226) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
PubChem CID45369226
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccccc2SC)c1
InChIInChI=1S/C14H15NO3S2/c1-18-11-6-5-7-12(10-11)20(16,17)15-13-8-3-4-9-14(13)19-2/h3-10,15H,1-2H3
InChIKeyVCBMIFXOTLVPFA-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

3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 2984378
4-methoxy-N-(2-methylsulfanylphenyl)-2-nitrobenzenesulfonamide
CID 18148049
N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-3-methoxybenzenesulfonamide
CID 50772882
3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61107273
N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297
3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 171347765
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
4-[(3-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877622
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
2-[5-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]pentyl]benzoic acid
CID 68689980

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide (CID 45369226) is 3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccccc2SC)c1.
What is the InChIKey of 3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is VCBMIFXOTLVPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-18-11-6-5-7-12(10-11)20(16,17)15-13-8-3-4-9-14(13)19-2/h3-10,15H,1-2H3.
What are the key properties of 3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide?
3-methoxy-N-(2-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 3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 45369226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).