2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide

C19H19NO4S — CID 24677933

IUPAC2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCCCc3ccccc3)ccc2o1
InChIInChI=1S/C19H19NO4S/c21-19-12-9-16-14-17(10-11-18(16)24-19)25(22,23)20-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,14,20H,4-5,8,13H2
InChIKeyKRPCANLDVRDJBC-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.09
Rot. Bonds7

About 2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide

2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide (PubChem CID 24677933) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
PubChem CID24677933
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCCCc3ccccc3)ccc2o1
InChIInChI=1S/C19H19NO4S/c21-19-12-9-16-14-17(10-11-18(16)24-19)25(22,23)20-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,14,20H,4-5,8,13H2
InChIKeyKRPCANLDVRDJBC-UHFFFAOYSA-N
XLogP3.09
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
CID 107319443
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
CID 24677976
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
CID 62664267
N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 24622217
2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide
CID 172906846
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 2987974

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide?
The IUPAC name of 2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide (CID 24677933) is 2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)NCCCCc3ccccc3)ccc2o1.
What is the InChIKey of 2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide?
The InChIKey is KRPCANLDVRDJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-19-12-9-16-14-17(10-11-18(16)24-19)25(22,23)20-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,14,20H,4-5,8,13H2.
What are the key properties of 2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide?
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide has a molecular weight of 357.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide is sourced from PubChem (CID 24677933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).