4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide

C11H16N2O3S — CID 82900892

IUPAC4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(OCC2CC2)c1
InChIInChI=1S/C11H16N2O3S/c1-13-17(14,15)9-4-5-10(12)11(6-9)16-7-8-2-3-8/h4-6,8,13H,2-3,7,12H2,1H3
InChIKeyDVVAZJGOQNXFFL-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.97
Rot. Bonds5

About 4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide

4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide (PubChem CID 82900892) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide
PubChem CID82900892
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(OCC2CC2)c1
InChIInChI=1S/C11H16N2O3S/c1-13-17(14,15)9-4-5-10(12)11(6-9)16-7-8-2-3-8/h4-6,8,13H,2-3,7,12H2,1H3
InChIKeyDVVAZJGOQNXFFL-UHFFFAOYSA-N
XLogP0.97
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.97
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

4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide
CID 82901614
4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide
CID 82900891
4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 82901458
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
4-amino-N-methyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82900533
4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide
CID 82901248
4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
CID 82903502
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
4-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 112624080
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328
4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide
CID 82902916
4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide
CID 82899314

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide (CID 82900892) is 4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(OCC2CC2)c1.
What is the InChIKey of 4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide?
The InChIKey is DVVAZJGOQNXFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-13-17(14,15)9-4-5-10(12)11(6-9)16-7-8-2-3-8/h4-6,8,13H,2-3,7,12H2,1H3.
What are the key properties of 4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide?
4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82900892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).