3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide

C12H16N2O3S — CID 81181099

IUPAC3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
SMILESNc1cccc(S(=O)(=O)CCC(=O)NC2CC2)c1
InChIInChI=1S/C12H16N2O3S/c13-9-2-1-3-11(8-9)18(16,17)7-6-12(15)14-10-4-5-10/h1-3,8,10H,4-7,13H2,(H,14,15)
InChIKeyZBBMYLSPLIZLOL-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.71
Rot. Bonds5

About 3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide

3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide (PubChem CID 81181099) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
PubChem CID81181099
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
SMILESNc1cccc(S(=O)(=O)CCC(=O)NC2CC2)c1
InChIInChI=1S/C12H16N2O3S/c13-9-2-1-3-11(8-9)18(16,17)7-6-12(15)14-10-4-5-10/h1-3,8,10H,4-7,13H2,(H,14,15)
InChIKeyZBBMYLSPLIZLOL-UHFFFAOYSA-N
XLogP0.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.71
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-(3-aminophenyl)sulfonyl-N-methylpropanamide
CID 81180826
N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide
CID 19584005
3-(3-aminophenyl)sulfonylpropanamide
CID 81180746
3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
CID 119475033
3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110411790
4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide
CID 94283308
3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide
CID 162215890
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide?
The IUPAC name of 3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide (CID 81181099) is 3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide?
The canonical SMILES for 3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide is Nc1cccc(S(=O)(=O)CCC(=O)NC2CC2)c1.
What is the InChIKey of 3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide?
The InChIKey is ZBBMYLSPLIZLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c13-9-2-1-3-11(8-9)18(16,17)7-6-12(15)14-10-4-5-10/h1-3,8,10H,4-7,13H2,(H,14,15).
What are the key properties of 3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide?
3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide has a molecular weight of 268.34 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide is sourced from PubChem (CID 81181099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).