N,N-dimethoxy-3-sulfamoylbenzamide

C9H12N2O5S — CID 54347456

IUPACN,N-dimethoxy-3-sulfamoylbenzamide
SMILESCON(OC)C(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H12N2O5S/c1-15-11(16-2)9(12)7-4-3-5-8(6-7)17(10,13)14/h3-6H,1-2H3,(H2,10,13,14)
InChIKeyUDHIRVHFURCSNO-UHFFFAOYSA-N
MW260.27 g/mol
LogP-0.10
Rot. Bonds4

About N,N-dimethoxy-3-sulfamoylbenzamide

N,N-dimethoxy-3-sulfamoylbenzamide (PubChem CID 54347456) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is N,N-dimethoxy-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN,N-dimethoxy-3-sulfamoylbenzamide
PubChem CID54347456
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC NameN,N-dimethoxy-3-sulfamoylbenzamide
SMILESCON(OC)C(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H12N2O5S/c1-15-11(16-2)9(12)7-4-3-5-8(6-7)17(10,13)14/h3-6H,1-2H3,(H2,10,13,14)
InChIKeyUDHIRVHFURCSNO-UHFFFAOYSA-N
XLogP-0.10
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 43269913
3-(2,2-dimethylpropanoyl)benzenesulfonamide
CID 58728640
N-ethyl-3-sulfamoylbenzamide
CID 43089872
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 55258090
3-butanoylbenzenesulfonamide
CID 63839666
N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide
CID 48630521
benzene-1,3-disulfonamide
CID 3090044
N-[[2-(methoxymethyl)phenyl]methyl]-3-sulfamoylbenzamide
CID 34684530
(3-methoxycyclohexyl) 3-sulfamoylbenzoate
CID 65381914
2-ethoxyethyl 3-sulfamoylbenzoate
CID 60642833
N-ethyl-N-[(2-methoxypyrrolidin-2-yl)methyl]-3-sulfamoylbenzamide
CID 70500289

Frequently Asked Questions

What is the IUPAC name of N,N-dimethoxy-3-sulfamoylbenzamide?
The IUPAC name of N,N-dimethoxy-3-sulfamoylbenzamide (CID 54347456) is N,N-dimethoxy-3-sulfamoylbenzamide.
What is the SMILES notation for N,N-dimethoxy-3-sulfamoylbenzamide?
The canonical SMILES for N,N-dimethoxy-3-sulfamoylbenzamide is CON(OC)C(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N,N-dimethoxy-3-sulfamoylbenzamide?
The InChIKey is UDHIRVHFURCSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S/c1-15-11(16-2)9(12)7-4-3-5-8(6-7)17(10,13)14/h3-6H,1-2H3,(H2,10,13,14).
What are the key properties of N,N-dimethoxy-3-sulfamoylbenzamide?
N,N-dimethoxy-3-sulfamoylbenzamide has a molecular weight of 260.27 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethoxy-3-sulfamoylbenzamide is sourced from PubChem (CID 54347456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).