5-amino-2-(3-methylsulfonylpropoxy)benzamide

C11H16N2O4S — CID 106956095

IUPAC5-amino-2-(3-methylsulfonylpropoxy)benzamide
SMILESCS(=O)(=O)CCCOc1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H16N2O4S/c1-18(15,16)6-2-5-17-10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,2,5-6,12H2,1H3,(H2,13,14)
InChIKeyFVQHGXTUJGRZHD-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.18
Rot. Bonds6

About 5-amino-2-(3-methylsulfonylpropoxy)benzamide

5-amino-2-(3-methylsulfonylpropoxy)benzamide (PubChem CID 106956095) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-amino-2-(3-methylsulfonylpropoxy)benzamide.

Molecular Properties

Compound Name5-amino-2-(3-methylsulfonylpropoxy)benzamide
PubChem CID106956095
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name5-amino-2-(3-methylsulfonylpropoxy)benzamide
SMILESCS(=O)(=O)CCCOc1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H16N2O4S/c1-18(15,16)6-2-5-17-10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,2,5-6,12H2,1H3,(H2,13,14)
InChIKeyFVQHGXTUJGRZHD-UHFFFAOYSA-N
XLogP0.18
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
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

5-amino-2-(3-methylsulfonylpropoxy)benzoic acid
CID 55161960
5-amino-2-butoxybenzamide
CID 61305277
5-amino-2-(3-amino-3-oxopropoxy)benzamide
CID 106956094
methyl 5-amino-2-(3-ethylsulfonylpropoxy)benzoate
CID 106955849
5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide
CID 106956131
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859
5-chlorosulfonyl-2-(3-methylsulfonylpropoxy)benzoic acid
CID 63190979
1-[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 78925927
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
3-methoxy-4-(3-methylsulfonylpropoxy)benzenecarbothioamide
CID 63191504
5-amino-2-butoxybenzoate
CID 23167453
5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide
CID 55136526

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methylsulfonylpropoxy)benzamide?
The IUPAC name of 5-amino-2-(3-methylsulfonylpropoxy)benzamide (CID 106956095) is 5-amino-2-(3-methylsulfonylpropoxy)benzamide.
What is the SMILES notation for 5-amino-2-(3-methylsulfonylpropoxy)benzamide?
The canonical SMILES for 5-amino-2-(3-methylsulfonylpropoxy)benzamide is CS(=O)(=O)CCCOc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(3-methylsulfonylpropoxy)benzamide?
The InChIKey is FVQHGXTUJGRZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-18(15,16)6-2-5-17-10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,2,5-6,12H2,1H3,(H2,13,14).
What are the key properties of 5-amino-2-(3-methylsulfonylpropoxy)benzamide?
5-amino-2-(3-methylsulfonylpropoxy)benzamide has a molecular weight of 272.33 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methylsulfonylpropoxy)benzamide is sourced from PubChem (CID 106956095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).