4-amino-N,N-dimethyl-2-sulfamoylbenzamide

C9H13N3O3S — CID 11064601

IUPAC4-amino-N,N-dimethyl-2-sulfamoylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C9H13N3O3S/c1-12(2)9(13)7-4-3-6(10)5-8(7)16(11,14)15/h3-5H,10H2,1-2H3,(H2,11,14,15)
InChIKeyJZMQASXQOGVTND-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.38
Rot. Bonds2

About 4-amino-N,N-dimethyl-2-sulfamoylbenzamide

4-amino-N,N-dimethyl-2-sulfamoylbenzamide (PubChem CID 11064601) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-2-sulfamoylbenzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-2-sulfamoylbenzamide
PubChem CID11064601
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name4-amino-N,N-dimethyl-2-sulfamoylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C9H13N3O3S/c1-12(2)9(13)7-4-3-6(10)5-8(7)16(11,14)15/h3-5H,10H2,1-2H3,(H2,11,14,15)
InChIKeyJZMQASXQOGVTND-UHFFFAOYSA-N
XLogP-0.38
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-butyl-4-[(phenylsulfonyl)amino]benzamide
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N-cyclopropyl-4-[(phenylsulfonyl)amino]benzamide
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N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4875218
N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide
CID 961784
Benzene-1,4-disulfonic acid 1-diethylamide 4-{[4-(pyrrolidine-1-carbonyl)-phenyl]-amide}
CID 645656
N-ethyl-4-[(phenylsulfonyl)amino]benzamide
CID 961957
4-{[(2,5-Dimethylphenyl)sulfonyl]amino}benzamide
CID 2579226
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CID 3996794

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-2-sulfamoylbenzamide?
The IUPAC name of 4-amino-N,N-dimethyl-2-sulfamoylbenzamide (CID 11064601) is 4-amino-N,N-dimethyl-2-sulfamoylbenzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-2-sulfamoylbenzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-2-sulfamoylbenzamide is CN(C)C(=O)c1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 4-amino-N,N-dimethyl-2-sulfamoylbenzamide?
The InChIKey is JZMQASXQOGVTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-12(2)9(13)7-4-3-6(10)5-8(7)16(11,14)15/h3-5H,10H2,1-2H3,(H2,11,14,15).
What are the key properties of 4-amino-N,N-dimethyl-2-sulfamoylbenzamide?
4-amino-N,N-dimethyl-2-sulfamoylbenzamide has a molecular weight of 243.29 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-2-sulfamoylbenzamide is sourced from PubChem (CID 11064601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).