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

C10H15N3O3S — CID 43374811

IUPAC2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H15N3O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-4-8(11)6-9/h3-6H,7,11H2,1-2H3,(H,12,14)
InChIKeyOGZQRTFDGRSKRU-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.36
Rot. Bonds4

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

2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 43374811) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID43374811
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H15N3O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-4-8(11)6-9/h3-6H,7,11H2,1-2H3,(H,12,14)
InChIKeyOGZQRTFDGRSKRU-UHFFFAOYSA-N
XLogP-0.36
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.36
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-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 61127954
2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374804
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374780
4-amino-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930931
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 79589010
3-(3-aminophenyl)sulfonyl-N-methylpropanamide
CID 81180826
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374774
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 116791482
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
CID 61301123
2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114463

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide (CID 43374811) is 2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is OGZQRTFDGRSKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-4-8(11)6-9/h3-6H,7,11H2,1-2H3,(H,12,14).
What are the key properties of 2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 257.31 g/mol, XLogP of -0.36, 4 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-methylacetamide is sourced from PubChem (CID 43374811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).