N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide

C14H17NO5S — CID 107319443

IUPACN-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCCCCO)ccc2o1
InChIInChI=1S/C14H17NO5S/c16-9-3-1-2-8-15-21(18,19)12-5-6-13-11(10-12)4-7-14(17)20-13/h4-7,10,15-16H,1-3,8-9H2
InChIKeyYURJYMCIXUZVIA-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.23
Rot. Bonds7

About N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide

N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide (PubChem CID 107319443) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
PubChem CID107319443
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC NameN-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCCCCO)ccc2o1
InChIInChI=1S/C14H17NO5S/c16-9-3-1-2-8-15-21(18,19)12-5-6-13-11(10-12)4-7-14(17)20-13/h4-7,10,15-16H,1-3,8-9H2
InChIKeyYURJYMCIXUZVIA-UHFFFAOYSA-N
XLogP1.23
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
CID 62664267
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
CID 24677976
N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide
CID 87024847
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-(5-hydroxypentyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 107319361
2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide
CID 32955601
2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide
CID 172906846
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide (CID 107319443) is N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)NCCCCCO)ccc2o1.
What is the InChIKey of N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide?
The InChIKey is YURJYMCIXUZVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5S/c16-9-3-1-2-8-15-21(18,19)12-5-6-13-11(10-12)4-7-14(17)20-13/h4-7,10,15-16H,1-3,8-9H2.
What are the key properties of N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide?
N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 107319443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).