N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide

C14H23NO4S — CID 107203068

IUPACN-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C14H23NO4S/c1-12-7-8-13(19-3)14(11-12)20(17,18)15(2)9-5-4-6-10-16/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyMELRNGLQTCAAII-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.79
Rot. Bonds8

About N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide

N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide (PubChem CID 107203068) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
PubChem CID107203068
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C14H23NO4S/c1-12-7-8-13(19-3)14(11-12)20(17,18)15(2)9-5-4-6-10-16/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyMELRNGLQTCAAII-UHFFFAOYSA-N
XLogP1.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
3-bromo-N-(5-hydroxypentyl)-4-methoxy-N-methylbenzenesulfonamide
CID 104982030
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
N-[3-(3,4-dimethoxyphenyl)propyl]-N,2,5-trimethylbenzenesulfonamide
CID 17393824
N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935
2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 8796550
N-[(1-hydroxycyclopentyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 114951772
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 3271656
(2-methoxy-5-methylphenyl)sulfonylmethanol
CID 117036688
N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 15590967
2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190925
N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8795214

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide (CID 107203068) is N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide?
The InChIKey is MELRNGLQTCAAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-12-7-8-13(19-3)14(11-12)20(17,18)15(2)9-5-4-6-10-16/h7-8,11,16H,4-6,9-10H2,1-3H3.
What are the key properties of N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide?
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 107203068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).