5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide

C14H22N2O3S — CID 79974308

IUPAC5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NC(C)CC1CC1
InChIInChI=1S/C14H22N2O3S/c1-9-6-13(19-3)14(8-12(9)15)20(17,18)16-10(2)7-11-4-5-11/h6,8,10-11,16H,4-5,7,15H2,1-3H3
InChIKeyHRJDZCPNDRYZMZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.05
Rot. Bonds6

About 5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide

5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 79974308) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
PubChem CID79974308
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NC(C)CC1CC1
InChIInChI=1S/C14H22N2O3S/c1-9-6-13(19-3)14(8-12(9)15)20(17,18)16-10(2)7-11-4-5-11/h6,8,10-11,16H,4-5,7,15H2,1-3H3
InChIKeyHRJDZCPNDRYZMZ-UHFFFAOYSA-N
XLogP2.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.05
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

2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide
CID 63988907
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 81413597
2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 79961871
5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 79962057
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
5-amino-4-bromo-N-butan-2-yl-2-methoxybenzenesulfonamide
CID 81414235
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986669
5-amino-N-(3,3-dimethylcyclopentyl)-2-methoxy-4-methylbenzenesulfonamide
CID 114542964
5-amino-N-(2-hydroxycyclohexyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79962251
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
CID 63994997
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
CID 107213489

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide (CID 79974308) is 5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)NC(C)CC1CC1.
What is the InChIKey of 5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is HRJDZCPNDRYZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-6-13(19-3)14(8-12(9)15)20(17,18)16-10(2)7-11-4-5-11/h6,8,10-11,16H,4-5,7,15H2,1-3H3.
What are the key properties of 5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide?
5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 79974308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).