5-sulfamoyl-2-(trideuteriomethoxy)benzamide

C8H10N2O4S — CID 162641561

IUPAC5-sulfamoyl-2-(trideuteriomethoxy)benzamide
SMILES[2H]C([2H])([2H])Oc1ccc(S(N)(=O)=O)cc1C(N)=O
InChIInChI=1S/C8H10N2O4S/c1-14-7-3-2-5(15(10,12)13)4-6(7)8(9)11/h2-4H,1H3,(H2,9,11)(H2,10,12,13)/i1D3
InChIKeyGTKYLVJCMKDNTH-FIBGUPNXSA-N
MW233.26 g/mol
LogP-0.56
Rot. Bonds4

About 5-sulfamoyl-2-(trideuteriomethoxy)benzamide

5-sulfamoyl-2-(trideuteriomethoxy)benzamide (PubChem CID 162641561) has the molecular formula C8H10N2O4S and a molecular weight of 233.26 g/mol. Its IUPAC name is 5-sulfamoyl-2-(trideuteriomethoxy)benzamide.

Molecular Properties

Compound Name5-sulfamoyl-2-(trideuteriomethoxy)benzamide
PubChem CID162641561
Molecular FormulaC8H10N2O4S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name5-sulfamoyl-2-(trideuteriomethoxy)benzamide
SMILES[2H]C([2H])([2H])Oc1ccc(S(N)(=O)=O)cc1C(N)=O
InChIInChI=1S/C8H10N2O4S/c1-14-7-3-2-5(15(10,12)13)4-6(7)8(9)11/h2-4H,1H3,(H2,9,11)(H2,10,12,13)/i1D3
InChIKeyGTKYLVJCMKDNTH-FIBGUPNXSA-N
XLogP-0.56
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
5-azidosulfonyl-2-methoxybenzamide
CID 43286593
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 26961268
CID 118692692
CID 118692692
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
2,3-dimethyl-5-sulfamoylbenzamide
CID 65373668
2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
CID 119171965
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
methyl 2-bromo-5-sulfamoylbenzoate
CID 43828340

Frequently Asked Questions

What is the IUPAC name of 5-sulfamoyl-2-(trideuteriomethoxy)benzamide?
The IUPAC name of 5-sulfamoyl-2-(trideuteriomethoxy)benzamide (CID 162641561) is 5-sulfamoyl-2-(trideuteriomethoxy)benzamide.
What is the SMILES notation for 5-sulfamoyl-2-(trideuteriomethoxy)benzamide?
The canonical SMILES for 5-sulfamoyl-2-(trideuteriomethoxy)benzamide is [2H]C([2H])([2H])Oc1ccc(S(N)(=O)=O)cc1C(N)=O.
What is the InChIKey of 5-sulfamoyl-2-(trideuteriomethoxy)benzamide?
The InChIKey is GTKYLVJCMKDNTH-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-14-7-3-2-5(15(10,12)13)4-6(7)8(9)11/h2-4H,1H3,(H2,9,11)(H2,10,12,13)/i1D3.
What are the key properties of 5-sulfamoyl-2-(trideuteriomethoxy)benzamide?
5-sulfamoyl-2-(trideuteriomethoxy)benzamide has a molecular weight of 233.26 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfamoyl-2-(trideuteriomethoxy)benzamide is sourced from PubChem (CID 162641561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).