3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide

C11H15N3O3S — CID 113485239

IUPAC3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide
SMILESCC1(NS(=O)(=O)c2ccc(C(N)=O)cc2N)CC1
InChIInChI=1S/C11H15N3O3S/c1-11(4-5-11)14-18(16,17)9-3-2-7(10(13)15)6-8(9)12/h2-3,6,14H,4-5,12H2,1H3,(H2,13,15)
InChIKeyIDSAAHNOGJRUQR-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.20
Rot. Bonds4

About 3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide

3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide (PubChem CID 113485239) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide
PubChem CID113485239
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide
SMILESCC1(NS(=O)(=O)c2ccc(C(N)=O)cc2N)CC1
InChIInChI=1S/C11H15N3O3S/c1-11(4-5-11)14-18(16,17)9-3-2-7(10(13)15)6-8(9)12/h2-3,6,14H,4-5,12H2,1H3,(H2,13,15)
InChIKeyIDSAAHNOGJRUQR-UHFFFAOYSA-N
XLogP0.20
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide
CID 81466289
3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide
CID 81457835
2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485273
3-amino-4-(cyclobutylsulfamoyl)benzamide
CID 81471203
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide
CID 81470893
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
CID 106180456
3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
CID 102695439
3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
CID 81466871
3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
CID 81471489
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 81465783
3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide
CID 106165205

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide (CID 113485239) is 3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide is CC1(NS(=O)(=O)c2ccc(C(N)=O)cc2N)CC1.
What is the InChIKey of 3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide?
The InChIKey is IDSAAHNOGJRUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-11(4-5-11)14-18(16,17)9-3-2-7(10(13)15)6-8(9)12/h2-3,6,14H,4-5,12H2,1H3,(H2,13,15).
What are the key properties of 3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide?
3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide has a molecular weight of 269.33 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide is sourced from PubChem (CID 113485239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).