N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide

C15H25NO3S — CID 71787611

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(O)C(C)(C)C)cc1C
InChIInChI=1S/C15H25NO3S/c1-11-6-7-13(10-12(11)2)20(18,19)16-9-8-14(17)15(3,4)5/h6-7,10,14,16-17H,8-9H2,1-5H3
InChIKeyLUKJQLRDHCQDEM-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.38
Rot. Bonds5

About N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide

N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 71787611) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide
PubChem CID71787611
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(O)C(C)(C)C)cc1C
InChIInChI=1S/C15H25NO3S/c1-11-6-7-13(10-12(11)2)20(18,19)16-9-8-14(17)15(3,4)5/h6-7,10,14,16-17H,8-9H2,1-5H3
InChIKeyLUKJQLRDHCQDEM-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 90523518
4-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523493
3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523494
N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide
CID 90523543
2-chloro-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523486
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106169276
N-(4-bromo-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
CID 114295021
2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride
CID 81357871
N-(1-bromo-4,4-dimethylpentan-3-yl)-3,4-dimethylbenzenesulfonamide
CID 106356653
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
CID 84512808

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide (CID 71787611) is N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(O)C(C)(C)C)cc1C.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is LUKJQLRDHCQDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-11-6-7-13(10-12(11)2)20(18,19)16-9-8-14(17)15(3,4)5/h6-7,10,14,16-17H,8-9H2,1-5H3.
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide?
N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 71787611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).