N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide

C17H14N2O7S — CID 54734204

IUPACN-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide
SMILESCS(=O)(=O)Nc1cc2oc(=O)c(NC=O)c(O)c2cc1Oc1ccccc1
InChIInChI=1S/C17H14N2O7S/c1-27(23,24)19-12-8-13-11(16(21)15(18-9-20)17(22)26-13)7-14(12)25-10-5-3-2-4-6-10/h2-9,19,21H,1H3,(H,18,20)
InChIKeyHHWXSBCNJLDTLC-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.23
Rot. Bonds6

About N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide

N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide (PubChem CID 54734204) has the molecular formula C17H14N2O7S and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide.

Molecular Properties

Compound NameN-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide
PubChem CID54734204
Molecular FormulaC17H14N2O7S
Molecular Weight390.37 g/mol
Exact Mass390.05
IUPAC NameN-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide
SMILESCS(=O)(=O)Nc1cc2oc(=O)c(NC=O)c(O)c2cc1Oc1ccccc1
InChIInChI=1S/C17H14N2O7S/c1-27(23,24)19-12-8-13-11(16(21)15(18-9-20)17(22)26-13)7-14(12)25-10-5-3-2-4-6-10/h2-9,19,21H,1H3,(H,18,20)
InChIKeyHHWXSBCNJLDTLC-UHFFFAOYSA-N
XLogP2.23
TPSA134.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-iodo-7-(methanesulfonamido)-4-oxo-6-phenoxychromen-3-yl]formamide
CID 175206426
N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide
CID 14722413
N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide
CID 10616480
N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide
CID 10786685
N-(6-phenoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonamide
CID 13069209
N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide
CID 10803650
methyl (E)-3-[4-(methanesulfonamido)-3-phenoxyphenyl]prop-2-enoate
CID 102048932
N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide
CID 10549566
[3-formamido-4-formyl-7-(methanesulfonamido)-6-phenoxy-4-sulfanylchromen-2-yl] thiohypoiodite
CID 175206427
N-(1-iodo-6-phenoxy-2,3-dihydro-1H-inden-5-yl)methanesulfonamide
CID 70540924
3-[3-(methanesulfonamido)-4-phenoxyphenoxy]but-2-enoic acid
CID 54030327
N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide
CID 46845618

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide?
The IUPAC name of N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide (CID 54734204) is N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide.
What is the SMILES notation for N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide?
The canonical SMILES for N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide is CS(=O)(=O)Nc1cc2oc(=O)c(NC=O)c(O)c2cc1Oc1ccccc1.
What is the InChIKey of N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide?
The InChIKey is HHWXSBCNJLDTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O7S/c1-27(23,24)19-12-8-13-11(16(21)15(18-9-20)17(22)26-13)7-14(12)25-10-5-3-2-4-6-10/h2-9,19,21H,1H3,(H,18,20).
What are the key properties of N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide?
N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide has a molecular weight of 390.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-7-(methanesulfonamido)-2-oxo-6-phenoxychromen-3-yl]formamide is sourced from PubChem (CID 54734204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).