3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide

C13H14N2O5S2 — CID 31064512

IUPAC3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C13H14N2O5S2/c1-20-11-5-2-4-10(8-11)15-22(18,19)13-7-3-6-12(9-13)21(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
InChIKeyHXECATZRKDQFEE-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.14
Rot. Bonds5

About 3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide

3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide (PubChem CID 31064512) has the molecular formula C13H14N2O5S2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
PubChem CID31064512
Molecular FormulaC13H14N2O5S2
Molecular Weight342.40 g/mol
Exact Mass342.03
IUPAC Name3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C13H14N2O5S2/c1-20-11-5-2-4-10(8-11)15-22(18,19)13-7-3-6-12(9-13)21(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
InChIKeyHXECATZRKDQFEE-UHFFFAOYSA-N
XLogP1.14
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
3-methoxybenzenesulfonamide
CID 14763060
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide
CID 71454986
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide
CID 10437549
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide
CID 164971706

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide (CID 31064512) is 3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide is COc1cccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide?
The InChIKey is HXECATZRKDQFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S2/c1-20-11-5-2-4-10(8-11)15-22(18,19)13-7-3-6-12(9-13)21(14,16)17/h2-9,15H,1H3,(H2,14,16,17).
What are the key properties of 3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide?
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide has a molecular weight of 342.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide is sourced from PubChem (CID 31064512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).