2-amino-3-(3-methylsulfonylpropylamino)benzamide

C11H17N3O3S — CID 115545630

IUPAC2-amino-3-(3-methylsulfonylpropylamino)benzamide
SMILESCS(=O)(=O)CCCNc1cccc(C(N)=O)c1N
InChIInChI=1S/C11H17N3O3S/c1-18(16,17)7-3-6-14-9-5-2-4-8(10(9)12)11(13)15/h2,4-5,14H,3,6-7,12H2,1H3,(H2,13,15)
InChIKeyFOEGJDDXISIEQM-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.21
Rot. Bonds6

About 2-amino-3-(3-methylsulfonylpropylamino)benzamide

2-amino-3-(3-methylsulfonylpropylamino)benzamide (PubChem CID 115545630) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-amino-3-(3-methylsulfonylpropylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(3-methylsulfonylpropylamino)benzamide
PubChem CID115545630
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-amino-3-(3-methylsulfonylpropylamino)benzamide
SMILESCS(=O)(=O)CCCNc1cccc(C(N)=O)c1N
InChIInChI=1S/C11H17N3O3S/c1-18(16,17)7-3-6-14-9-5-2-4-8(10(9)12)11(13)15/h2,4-5,14H,3,6-7,12H2,1H3,(H2,13,15)
InChIKeyFOEGJDDXISIEQM-UHFFFAOYSA-N
XLogP0.21
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2-methylsulfonylethylamino)benzamide
CID 115544080
ethyl 2-amino-3-(3-methylsulfonylpropylamino)benzoate
CID 115545631
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
2-amino-3-(4-propan-2-yloxybutylamino)benzamide
CID 114137384
2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-amino-3-(3-methylsulfonylpropylamino)benzonitrile
CID 113444736
2-N-(3-methylsulfonylpropyl)benzene-1,2-diamine
CID 18334911
2-amino-3-(2-cyclopropylethylamino)benzamide
CID 115546423
2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide
CID 115545852
2-fluoro-6-(3-methylsulfonylpropylamino)benzoic acid
CID 79522433
methyl 2-amino-3-(2-sulfamoylethylamino)benzoate
CID 115544871
2-(3-methylsulfonylpropylamino)-N-prop-2-ynylbenzamide
CID 75427525

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methylsulfonylpropylamino)benzamide?
The IUPAC name of 2-amino-3-(3-methylsulfonylpropylamino)benzamide (CID 115545630) is 2-amino-3-(3-methylsulfonylpropylamino)benzamide.
What is the SMILES notation for 2-amino-3-(3-methylsulfonylpropylamino)benzamide?
The canonical SMILES for 2-amino-3-(3-methylsulfonylpropylamino)benzamide is CS(=O)(=O)CCCNc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(3-methylsulfonylpropylamino)benzamide?
The InChIKey is FOEGJDDXISIEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-18(16,17)7-3-6-14-9-5-2-4-8(10(9)12)11(13)15/h2,4-5,14H,3,6-7,12H2,1H3,(H2,13,15).
What are the key properties of 2-amino-3-(3-methylsulfonylpropylamino)benzamide?
2-amino-3-(3-methylsulfonylpropylamino)benzamide has a molecular weight of 271.34 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methylsulfonylpropylamino)benzamide is sourced from PubChem (CID 115545630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).