5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide

C14H24N2O3S — CID 106348013

IUPAC5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC(CCO)C(C)C)c1C
InChIInChI=1S/C14H24N2O3S/c1-9(2)13(5-6-17)16-20(18,19)14-8-12(15)7-10(3)11(14)4/h7-9,13,16-17H,5-6,15H2,1-4H3
InChIKeyPQBUHTGGALGPAL-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.57
Rot. Bonds6

About 5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide

5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide (PubChem CID 106348013) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide
PubChem CID106348013
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC(CCO)C(C)C)c1C
InChIInChI=1S/C14H24N2O3S/c1-9(2)13(5-6-17)16-20(18,19)14-8-12(15)7-10(3)11(14)4/h7-9,13,16-17H,5-6,15H2,1-4H3
InChIKeyPQBUHTGGALGPAL-UHFFFAOYSA-N
XLogP1.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 80646566
4-amino-2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzoic acid
CID 106348020
4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 106347954
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 79588447
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79588527
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 93081202
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzenesulfonamide
CID 79248112
5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463662
3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide
CID 106347953
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
CID 83177341
2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 71911251

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide (CID 106348013) is 5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NC(CCO)C(C)C)c1C.
What is the InChIKey of 5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is PQBUHTGGALGPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-9(2)13(5-6-17)16-20(18,19)14-8-12(15)7-10(3)11(14)4/h7-9,13,16-17H,5-6,15H2,1-4H3.
What are the key properties of 5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide?
5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 106348013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).