4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide

C14H20N2O3S — CID 81438751

IUPAC4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C2CC2)C2CC2)ccc1N
InChIInChI=1S/C14H20N2O3S/c1-19-13-8-11(6-7-12(13)15)20(17,18)16-14(9-2-3-9)10-4-5-10/h6-10,14,16H,2-5,15H2,1H3
InChIKeyKXJYYPUOBSRFLN-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.74
Rot. Bonds6

About 4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide

4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide (PubChem CID 81438751) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
PubChem CID81438751
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C2CC2)C2CC2)ccc1N
InChIInChI=1S/C14H20N2O3S/c1-19-13-8-11(6-7-12(13)15)20(17,18)16-14(9-2-3-9)10-4-5-10/h6-10,14,16H,2-5,15H2,1H3
InChIKeyKXJYYPUOBSRFLN-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-cyclohexylethyl)-3-methoxybenzenesulfonamide
CID 81440565
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 81437934
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 81438617
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
methyl 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 81440799
4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide
CID 81438418
4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81438293
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119986999
4-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81440827

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide (CID 81438751) is 4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NC(C2CC2)C2CC2)ccc1N.
What is the InChIKey of 4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide?
The InChIKey is KXJYYPUOBSRFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-13-8-11(6-7-12(13)15)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)-3-methoxybenzenesulfonamide?
4-amino-N-(dicyclopropylmethyl)-3-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)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81438751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).