5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide

C10H12N2O3S — CID 61113453

IUPAC5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1cc(N)ccc1OC
InChIInChI=1S/C10H12N2O3S/c1-3-6-12-16(13,14)10-7-8(11)4-5-9(10)15-2/h1,4-5,7,12H,6,11H2,2H3
InChIKeyFHVZSLUAQJHIBD-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.19
Rot. Bonds4

About 5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide

5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide (PubChem CID 61113453) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
PubChem CID61113453
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1cc(N)ccc1OC
InChIInChI=1S/C10H12N2O3S/c1-3-6-12-16(13,14)10-7-8(11)4-5-9(10)15-2/h1,4-5,7,12H,6,11H2,2H3
InChIKeyFHVZSLUAQJHIBD-UHFFFAOYSA-N
XLogP0.19
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide
CID 106208472
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide
CID 65207005
5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29033942
5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460090
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61285259

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide (CID 61113453) is 5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide is C#CCNS(=O)(=O)c1cc(N)ccc1OC.
What is the InChIKey of 5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is FHVZSLUAQJHIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-3-6-12-16(13,14)10-7-8(11)4-5-9(10)15-2/h1,4-5,7,12H,6,11H2,2H3.
What are the key properties of 5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide?
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 240.28 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 61113453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).