N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide

C20H13NO6S2 — CID 71509532

IUPACN-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C20H13NO6S2/c22-15-8-5-13-10-16(20(24)27-17(13)11-15)19(23)12-3-6-14(7-4-12)21-29(25,26)18-2-1-9-28-18/h1-11,21-22H
InChIKeyZYCPFHDVQLPCCV-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.59
Rot. Bonds5

About N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide

N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide (PubChem CID 71509532) has the molecular formula C20H13NO6S2 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide
PubChem CID71509532
Molecular FormulaC20H13NO6S2
Molecular Weight427.46 g/mol
Exact Mass427.02
IUPAC NameN-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C20H13NO6S2/c22-15-8-5-13-10-16(20(24)27-17(13)11-15)19(23)12-3-6-14(7-4-12)21-29(25,26)18-2-1-9-28-18/h1-11,21-22H
InChIKeyZYCPFHDVQLPCCV-UHFFFAOYSA-N
XLogP3.59
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide
CID 45276631
N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 4802460
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 135745545
7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one
CID 19074026
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-[4-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 2082661
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 24703518
(2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
CID 3519185
2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide
CID 55659204
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
(2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
CID 86641213

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide (CID 71509532) is N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)c1cc2ccc(O)cc2oc1=O.
What is the InChIKey of N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is ZYCPFHDVQLPCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO6S2/c22-15-8-5-13-10-16(20(24)27-17(13)11-15)19(23)12-3-6-14(7-4-12)21-29(25,26)18-2-1-9-28-18/h1-11,21-22H.
What are the key properties of N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide?
N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 427.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-hydroxy-2-oxochromene-3-carbonyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71509532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).