N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide

C15H25NO4S — CID 103858918

IUPACN-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCCC(C)CO)c(C)c1
InChIInChI=1S/C15H25NO4S/c1-11(10-17)6-5-7-16-21(18,19)15-12(2)8-14(20-4)9-13(15)3/h8-9,11,16-17H,5-7,10H2,1-4H3
InChIKeyDKTJPCCPPOKJAQ-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.00
Rot. Bonds8

About N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide

N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 103858918) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID103858918
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCCC(C)CO)c(C)c1
InChIInChI=1S/C15H25NO4S/c1-11(10-17)6-5-7-16-21(18,19)15-12(2)8-14(20-4)9-13(15)3/h8-9,11,16-17H,5-7,10H2,1-4H3
InChIKeyDKTJPCCPPOKJAQ-UHFFFAOYSA-N
XLogP2.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 66108014
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]pentanoic acid
CID 62034487
3-amino-N-(5-hydroxy-4-methylpentyl)-4,5-dimethylbenzenesulfonamide
CID 106152997
5-[(5-hydroxy-4-methylpentyl)sulfamoyl]-2-methylbenzoic acid
CID 106155990
2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 43169502
methyl 3-hydroxy-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 43624281
5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol
CID 103859647
4-methoxy-2,6-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94797694
4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789471
4-[(5-hydroxy-4-methylpentyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106155956
N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 103876049
N-(2-hydroxy-2-methylbutyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 65112859

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 103858918) is N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCCC(C)CO)c(C)c1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is DKTJPCCPPOKJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-11(10-17)6-5-7-16-21(18,19)15-12(2)8-14(20-4)9-13(15)3/h8-9,11,16-17H,5-7,10H2,1-4H3.
What are the key properties of N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103858918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).