2,3-dimethoxybenzenesulfonamide;hydrochloride

C8H12ClNO4S — CID 142896136

IUPAC2,3-dimethoxybenzenesulfonamide;hydrochloride
SMILESCOc1cccc(S(N)(=O)=O)c1OC.Cl
InChIInChI=1S/C8H11NO4S.ClH/c1-12-6-4-3-5-7(8(6)13-2)14(9,10)11;/h3-5H,1-2H3,(H2,9,10,11);1H
InChIKeyMFXDIGCHVBAYBN-UHFFFAOYSA-N
MW253.71 g/mol
LogP0.77
Rot. Bonds3

About 2,3-dimethoxybenzenesulfonamide;hydrochloride

2,3-dimethoxybenzenesulfonamide;hydrochloride (PubChem CID 142896136) has the molecular formula C8H12ClNO4S and a molecular weight of 253.71 g/mol. Its IUPAC name is 2,3-dimethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,3-dimethoxybenzenesulfonamide;hydrochloride
PubChem CID142896136
Molecular FormulaC8H12ClNO4S
Molecular Weight253.71 g/mol
Exact Mass253.02
IUPAC Name2,3-dimethoxybenzenesulfonamide;hydrochloride
SMILESCOc1cccc(S(N)(=O)=O)c1OC.Cl
InChIInChI=1S/C8H11NO4S.ClH/c1-12-6-4-3-5-7(8(6)13-2)14(9,10)11;/h3-5H,1-2H3,(H2,9,10,11);1H
InChIKeyMFXDIGCHVBAYBN-UHFFFAOYSA-N
XLogP0.77
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methoxybenzenesulfonamide
CID 82811316
2-methoxy-3-[(2-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 168867113
benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide
CID 70247303
(2,6-dimethoxyphenyl) sulfamate
CID 86254316
2-hydroxy-3,4-dimethoxybenzenesulfonamide
CID 174958358
2-methoxy-3-(2-methylpropyl)benzenesulfonamide
CID 141351219
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 139019102
potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid
CID 175242674
3-bromo-2-methoxybenzenesulfonic acid
CID 174958366
1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene
CID 71659103

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of 2,3-dimethoxybenzenesulfonamide;hydrochloride (CID 142896136) is 2,3-dimethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,3-dimethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for 2,3-dimethoxybenzenesulfonamide;hydrochloride is COc1cccc(S(N)(=O)=O)c1OC.Cl.
What is the InChIKey of 2,3-dimethoxybenzenesulfonamide;hydrochloride?
The InChIKey is MFXDIGCHVBAYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S.ClH/c1-12-6-4-3-5-7(8(6)13-2)14(9,10)11;/h3-5H,1-2H3,(H2,9,10,11);1H.
What are the key properties of 2,3-dimethoxybenzenesulfonamide;hydrochloride?
2,3-dimethoxybenzenesulfonamide;hydrochloride has a molecular weight of 253.71 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 142896136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).