3-methoxybenzenesulfonamide;hydrochloride

C7H10ClNO3S — CID 141115301

IUPAC3-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1cccc(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C7H9NO3S.ClH/c1-11-6-3-2-4-7(5-6)12(8,9)10;/h2-5H,1H3,(H2,8,9,10);1H
InChIKeyBJQRCUSLFPVLAY-UHFFFAOYSA-N
MW223.68 g/mol
LogP0.76
Rot. Bonds2

About 3-methoxybenzenesulfonamide;hydrochloride

3-methoxybenzenesulfonamide;hydrochloride (PubChem CID 141115301) has the molecular formula C7H10ClNO3S and a molecular weight of 223.68 g/mol. Its IUPAC name is 3-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methoxybenzenesulfonamide;hydrochloride
PubChem CID141115301
Molecular FormulaC7H10ClNO3S
Molecular Weight223.68 g/mol
Exact Mass223.01
IUPAC Name3-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1cccc(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C7H9NO3S.ClH/c1-11-6-3-2-4-7(5-6)12(8,9)10;/h2-5H,1H3,(H2,8,9,10);1H
InChIKeyBJQRCUSLFPVLAY-UHFFFAOYSA-N
XLogP0.76
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxybenzenesulfonamide
CID 14763060
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
3-methylsulfonylbenzenesulfonamide;hydrochloride
CID 172691071
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

Frequently Asked Questions

What is the IUPAC name of 3-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of 3-methoxybenzenesulfonamide;hydrochloride (CID 141115301) is 3-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-methoxybenzenesulfonamide;hydrochloride is COc1cccc(S(N)(=O)=O)c1.Cl.
What is the InChIKey of 3-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is BJQRCUSLFPVLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S.ClH/c1-11-6-3-2-4-7(5-6)12(8,9)10;/h2-5H,1H3,(H2,8,9,10);1H.
What are the key properties of 3-methoxybenzenesulfonamide;hydrochloride?
3-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 223.68 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 141115301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).