3-methoxybenzenesulfonamide

C7H9NO3S — CID 14763060

IUPAC3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C7H9NO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKeyVBKIEQKVSHDVGH-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.34
Rot. Bonds2

About 3-methoxybenzenesulfonamide

3-methoxybenzenesulfonamide (PubChem CID 14763060) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-methoxybenzenesulfonamide
PubChem CID14763060
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C7H9NO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKeyVBKIEQKVSHDVGH-UHFFFAOYSA-N
XLogP0.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
CID 68601834
CID 68601834
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
benzene-1,3-disulfonamide
CID 3090044
(3-methoxyphenyl)sulfonyl-methylazanide
CID 59280617
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
CID 172849383
CID 172849383
3-amino-4-(3-methoxyphenyl)sulfanylbenzenesulfonamide
CID 43331004
but-2-ene;3-methoxybenzenesulfonic acid
CID 175366995
3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide
CID 155479582
dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane
CID 58227638

Frequently Asked Questions

What is the IUPAC name of 3-methoxybenzenesulfonamide?
The IUPAC name of 3-methoxybenzenesulfonamide (CID 14763060) is 3-methoxybenzenesulfonamide.
What is the SMILES notation for 3-methoxybenzenesulfonamide?
The canonical SMILES for 3-methoxybenzenesulfonamide is COc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-methoxybenzenesulfonamide?
The InChIKey is VBKIEQKVSHDVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10).
What are the key properties of 3-methoxybenzenesulfonamide?
3-methoxybenzenesulfonamide has a molecular weight of 187.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybenzenesulfonamide is sourced from PubChem (CID 14763060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).