N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide

C16H15NO5S — CID 10019713

IUPACN-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide
SMILESCc1c(O)ccc2c1oc(=O)c1c(C)c(NS(C)(=O)=O)ccc12
InChIInChI=1S/C16H15NO5S/c1-8-12(17-23(3,20)21)6-4-10-11-5-7-13(18)9(2)15(11)22-16(19)14(8)10/h4-7,17-18H,1-3H3
InChIKeyYDPNHHGRSZZASJ-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.64
Rot. Bonds2

About N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide

N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide (PubChem CID 10019713) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide
PubChem CID10019713
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC NameN-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide
SMILESCc1c(O)ccc2c1oc(=O)c1c(C)c(NS(C)(=O)=O)ccc12
InChIInChI=1S/C16H15NO5S/c1-8-12(17-23(3,20)21)6-4-10-11-5-7-13(18)9(2)15(11)22-16(19)14(8)10/h4-7,17-18H,1-3H3
InChIKeyYDPNHHGRSZZASJ-UHFFFAOYSA-N
XLogP2.64
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-Amino-2-(6-Hydroxy-3-Oxo-3h-Xanthen-9-Yl)benzoic Acid
CID 5138213
Cvt-10216
CID 23661666
8-amino-3-hydroxy-4,7-dimethyl-6H-benzo[c]chromen-6-one
CID 10060912
4-(8-Methanesulfonylamino-1-methoxy-6H-benzo[c]chromen-6-yl)-benzoic acid ethyl ester
CID 10275888
3-(8-Methanesulfonylamino-1-methoxy-6H-benzo[c]chromen-6-yl)-benzoic acid ethyl ester
CID 44305822
N-(3-hydroxy-4,7-dimethyl-6-oxo-6H-benzo[c]chromen-8-yl)formamide
CID 44409233
2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-isothiocyanatobenzoic acid
CID 259101
(6-Ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3-(methanesulfonamido)benzoate
CID 6217912
(7-Hydroxy-2-oxochromen-4-yl)methyl 2-(methanesulfonamido)benzoate
CID 8124970
N-[3-[(E)-3-(4-hydroxy-2-methoxy-5-prop-2-enylphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 141746827
N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide
CID 14523562
[3-Carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)phenyl]azanium
CID 135567023

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide?
The IUPAC name of N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide (CID 10019713) is N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide?
The canonical SMILES for N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide is Cc1c(O)ccc2c1oc(=O)c1c(C)c(NS(C)(=O)=O)ccc12.
What is the InChIKey of N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide?
The InChIKey is YDPNHHGRSZZASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c1-8-12(17-23(3,20)21)6-4-10-11-5-7-13(18)9(2)15(11)22-16(19)14(8)10/h4-7,17-18H,1-3H3.
What are the key properties of N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide?
N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide has a molecular weight of 333.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,7-dimethyl-6-oxobenzo[c]chromen-8-yl)methanesulfonamide is sourced from PubChem (CID 10019713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).