2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide

C12H17N3O3S — CID 43575882

IUPAC2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H17N3O3S/c1-15(8-12(16)14-10-5-6-10)19(17,18)11-4-2-3-9(13)7-11/h2-4,7,10H,5-6,8,13H2,1H3,(H,14,16)
InChIKeyYLOMPNIGPLBNAY-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.17
Rot. Bonds5

About 2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide

2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (PubChem CID 43575882) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
PubChem CID43575882
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H17N3O3S/c1-15(8-12(16)14-10-5-6-10)19(17,18)11-4-2-3-9(13)7-11/h2-4,7,10H,5-6,8,13H2,1H3,(H,14,16)
InChIKeyYLOMPNIGPLBNAY-UHFFFAOYSA-N
XLogP0.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.17
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

2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 62057270
2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 61127954
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575925
3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81181099
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 116791527
N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119475665

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (CID 43575882) is 2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is YLOMPNIGPLBNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-15(8-12(16)14-10-5-6-10)19(17,18)11-4-2-3-9(13)7-11/h2-4,7,10H,5-6,8,13H2,1H3,(H,14,16).
What are the key properties of 2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 283.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43575882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).