4-amino-3-propylsulfonylbenzamide

C10H14N2O3S — CID 63355743

IUPAC4-amino-3-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C10H14N2O3S/c1-2-5-16(14,15)9-6-7(10(12)13)3-4-8(9)11/h3-4,6H,2,5,11H2,1H3,(H2,12,13)
InChIKeyORVOMCGFANJXDD-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.55
Rot. Bonds4

About 4-amino-3-propylsulfonylbenzamide

4-amino-3-propylsulfonylbenzamide (PubChem CID 63355743) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-amino-3-propylsulfonylbenzamide.

Molecular Properties

Compound Name4-amino-3-propylsulfonylbenzamide
PubChem CID63355743
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name4-amino-3-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C10H14N2O3S/c1-2-5-16(14,15)9-6-7(10(12)13)3-4-8(9)11/h3-4,6H,2,5,11H2,1H3,(H2,12,13)
InChIKeyORVOMCGFANJXDD-UHFFFAOYSA-N
XLogP0.55
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.55
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

3-amino-4-ethylbenzamide
CID 19977641
3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide
CID 81193096
4-amino-3-propoxybenzamide
CID 63356295
3-amino-4-(diethylsulfamoyl)benzamide
CID 81470581
3-amino-4-(ethylamino)benzamide
CID 43448330
4-methyl-2-nonylsulfonylaniline
CID 81184082
3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide
CID 81201482
4-methyl-3-methylsulfonylbenzamide;3-(4-methylphenyl)-5-propylsulfonylbenzoic acid
CID 174818638
4-amino-3-(2-methylpentoxy)benzamide
CID 103282893
3-amino-4-(tert-butylsulfonylmethyl)benzamide
CID 43382306
5-fluoro-4-methyl-2-propylsulfonylaniline
CID 103591314
3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
CID 142777433

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-propylsulfonylbenzamide?
The IUPAC name of 4-amino-3-propylsulfonylbenzamide (CID 63355743) is 4-amino-3-propylsulfonylbenzamide.
What is the SMILES notation for 4-amino-3-propylsulfonylbenzamide?
The canonical SMILES for 4-amino-3-propylsulfonylbenzamide is CCCS(=O)(=O)c1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-propylsulfonylbenzamide?
The InChIKey is ORVOMCGFANJXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-2-5-16(14,15)9-6-7(10(12)13)3-4-8(9)11/h3-4,6H,2,5,11H2,1H3,(H2,12,13).
What are the key properties of 4-amino-3-propylsulfonylbenzamide?
4-amino-3-propylsulfonylbenzamide has a molecular weight of 242.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-propylsulfonylbenzamide is sourced from PubChem (CID 63355743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).