N-(4-amino-3-methylphenyl)sulfonylpropanamide

C10H14N2O3S — CID 23596867

IUPACN-(4-amino-3-methylphenyl)sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C10H14N2O3S/c1-3-10(13)12-16(14,15)8-4-5-9(11)7(2)6-8/h4-6H,3,11H2,1-2H3,(H,12,13)
InChIKeyRPTIIQYFYGNHRH-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.79
Rot. Bonds3

About N-(4-amino-3-methylphenyl)sulfonylpropanamide

N-(4-amino-3-methylphenyl)sulfonylpropanamide (PubChem CID 23596867) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)sulfonylpropanamide
PubChem CID23596867
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC NameN-(4-amino-3-methylphenyl)sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C10H14N2O3S/c1-3-10(13)12-16(14,15)8-4-5-9(11)7(2)6-8/h4-6H,3,11H2,1-2H3,(H,12,13)
InChIKeyRPTIIQYFYGNHRH-UHFFFAOYSA-N
XLogP0.79
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.79
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

N-(6-aminonaphthalen-2-yl)sulfonylpropanamide
CID 15120818
1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea
CID 116645966
3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499
2-(4-amino-3-methylphenyl)sulfonylbutanamide
CID 81182268
(E,4S)-N-(4-amino-3-methylphenyl)sulfonyl-2,5-dimethyl-4-(methylamino)hex-2-enamide
CID 138709590
4-(2-ethylsulfonylethylsulfonyl)-2-methylaniline
CID 81181679
2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343811
N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide
CID 142683766
1-(4-amino-3-bromophenyl)sulfonyl-3-butylurea
CID 116645809
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106165658
4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79353542

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(4-amino-3-methylphenyl)sulfonylpropanamide (CID 23596867) is N-(4-amino-3-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)sulfonylpropanamide is CCC(=O)NS(=O)(=O)c1ccc(N)c(C)c1.
What is the InChIKey of N-(4-amino-3-methylphenyl)sulfonylpropanamide?
The InChIKey is RPTIIQYFYGNHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-10(13)12-16(14,15)8-4-5-9(11)7(2)6-8/h4-6H,3,11H2,1-2H3,(H,12,13).
What are the key properties of N-(4-amino-3-methylphenyl)sulfonylpropanamide?
N-(4-amino-3-methylphenyl)sulfonylpropanamide has a molecular weight of 242.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 23596867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).