5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide

C14H24N2O3S — CID 106165463

IUPAC5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NC(C)(CC)CCO
InChIInChI=1S/C14H24N2O3S/c1-4-11-6-7-12(15)10-13(11)20(18,19)16-14(3,5-2)8-9-17/h6-7,10,16-17H,4-5,8-9,15H2,1-3H3
InChIKeyAUGGDUQHBHZRQJ-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.66
Rot. Bonds7

About 5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide

5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106165463) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106165463
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NC(C)(CC)CCO
InChIInChI=1S/C14H24N2O3S/c1-4-11-6-7-12(15)10-13(11)20(18,19)16-14(3,5-2)8-9-17/h6-7,10,16-17H,4-5,8-9,15H2,1-3H3
InChIKeyAUGGDUQHBHZRQJ-UHFFFAOYSA-N
XLogP1.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.66
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

4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165228
4-amino-2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165292
3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095517
5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
CID 106140110
3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide
CID 106165205
2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 114153291
5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615046
3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165383
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188
3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-4-methylbenzoic acid
CID 106168429
3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954
3-amino-4-bromo-5-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165237

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide (CID 106165463) is 5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NC(C)(CC)CCO.
What is the InChIKey of 5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is AUGGDUQHBHZRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-11-6-7-12(15)10-13(11)20(18,19)16-14(3,5-2)8-9-17/h6-7,10,16-17H,4-5,8-9,15H2,1-3H3.
What are the key properties of 5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106165463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).