4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide

C12H18N2O3S — CID 113466272

IUPAC4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
SMILESC=CCC(C)NS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C12H18N2O3S/c1-4-5-9(2)14-18(15,16)12-7-6-10(13)8-11(12)17-3/h4,6-9,14H,1,5,13H2,2-3H3
InChIKeyUPBLRVLUDPASNK-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.52
Rot. Bonds6

About 4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide

4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide (PubChem CID 113466272) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
PubChem CID113466272
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
SMILESC=CCC(C)NS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C12H18N2O3S/c1-4-5-9(2)14-18(15,16)12-7-6-10(13)8-11(12)17-3/h4,6-9,14H,1,5,13H2,2-3H3
InChIKeyUPBLRVLUDPASNK-UHFFFAOYSA-N
XLogP1.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.52
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

4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466265
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65050020
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
CID 61476398
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide (CID 113466272) is 4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide is C=CCC(C)NS(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of 4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide?
The InChIKey is UPBLRVLUDPASNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-5-9(2)14-18(15,16)12-7-6-10(13)8-11(12)17-3/h4,6-9,14H,1,5,13H2,2-3H3.
What are the key properties of 4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide?
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide is sourced from PubChem (CID 113466272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).