4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide

C14H20N2O3S — CID 61479238

IUPAC4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C14H20N2O3S/c1-19-12-8-11(15)6-7-13(12)20(17,18)16-14(9-2-3-9)10-4-5-10/h6-10,14,16H,2-5,15H2,1H3
InChIKeyUKQWOBMBKLZKRZ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.74
Rot. Bonds6

About 4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide

4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide (PubChem CID 61479238) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
PubChem CID61479238
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C14H20N2O3S/c1-19-12-8-11(15)6-7-13(12)20(17,18)16-14(9-2-3-9)10-4-5-10/h6-10,14,16H,2-5,15H2,1H3
InChIKeyUKQWOBMBKLZKRZ-UHFFFAOYSA-N
XLogP1.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.74
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-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 63294130
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65050020
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165
5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 65206493
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide
CID 65188507
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466272
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide (CID 61479238) is 4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide?
The InChIKey is UKQWOBMBKLZKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-12-8-11(15)6-7-13(12)20(17,18)16-14(9-2-3-9)10-4-5-10/h6-10,14,16H,2-5,15H2,1H3.
What are the key properties of 4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide?
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 61479238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).