N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide

C10H14N2O3S — CID 79673212

IUPACN-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1cc(OC)ccc1N
InChIInChI=1S/C10H14N2O3S/c1-3-6-16(13,14)12-10-7-8(15-2)4-5-9(10)11/h3-5,7,12H,1,6,11H2,2H3
InChIKeyBDDICCVKGAHRBX-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.21
Rot. Bonds5

About N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide

N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide (PubChem CID 79673212) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide
PubChem CID79673212
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC NameN-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1cc(OC)ccc1N
InChIInChI=1S/C10H14N2O3S/c1-3-6-16(13,14)12-10-7-8(15-2)4-5-9(10)11/h3-5,7,12H,1,6,11H2,2H3
InChIKeyBDDICCVKGAHRBX-UHFFFAOYSA-N
XLogP1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
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N-(2-bromo-4-methoxyphenyl)ethanesulfonamide
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4-methoxy-2-(methoxymethylsulfonyl)aniline
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide (CID 79673212) is N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)Nc1cc(OC)ccc1N.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide?
The InChIKey is BDDICCVKGAHRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-6-16(13,14)12-10-7-8(15-2)4-5-9(10)11/h3-5,7,12H,1,6,11H2,2H3.
What are the key properties of N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide?
N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide has a molecular weight of 242.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79673212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).