4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide

C13H22N2O3S — CID 81437934

IUPAC4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C)CC(C)C)ccc1N
InChIInChI=1S/C13H22N2O3S/c1-9(2)7-10(3)15-19(16,17)11-5-6-12(14)13(8-11)18-4/h5-6,8-10,15H,7,14H2,1-4H3
InChIKeyKRDHXQCUKFINIU-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.99
Rot. Bonds6

About 4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide

4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 81437934) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
PubChem CID81437934
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C)CC(C)C)ccc1N
InChIInChI=1S/C13H22N2O3S/c1-9(2)7-10(3)15-19(16,17)11-5-6-12(14)13(8-11)18-4/h5-6,8-10,15H,7,14H2,1-4H3
InChIKeyKRDHXQCUKFINIU-UHFFFAOYSA-N
XLogP1.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.99
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-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 81440427
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 81438617
4-amino-N-(2-hydroxy-4-methylpentyl)-3-methoxybenzenesulfonamide
CID 107150845
4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372088
4-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81440827
methyl 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 81440799
3-amino-N-(4-methylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 82847707
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 81440558
4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
CID 81440565
4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466249
4-N-(4-methylpentan-2-yl)benzene-1,4-disulfonamide
CID 43372522

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide (CID 81437934) is 4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide is COc1cc(S(=O)(=O)NC(C)CC(C)C)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is KRDHXQCUKFINIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9(2)7-10(3)15-19(16,17)11-5-6-12(14)13(8-11)18-4/h5-6,8-10,15H,7,14H2,1-4H3.
What are the key properties of 4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide?
4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 81437934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).