N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane

C20H23NO4S — CID 178026568

IUPACN-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane
SMILESCC.Cc1ccc(S(=O)(=O)Nc2cc3c(C)cc(=O)oc3cc2C)cc1
InChIInChI=1S/C18H17NO4S.C2H6/c1-11-4-6-14(7-5-11)24(21,22)19-16-10-15-12(2)9-18(20)23-17(15)8-13(16)3;1-2/h4-10,19H,1-3H3;1-2H3
InChIKeyRWVKQJVLAWPAHW-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.55
Rot. Bonds3

About N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane

N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane (PubChem CID 178026568) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane.

Molecular Properties

Compound NameN-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane
PubChem CID178026568
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC NameN-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane
SMILESCC.Cc1ccc(S(=O)(=O)Nc2cc3c(C)cc(=O)oc3cc2C)cc1
InChIInChI=1S/C18H17NO4S.C2H6/c1-11-4-6-14(7-5-11)24(21,22)19-16-10-15-12(2)9-18(20)23-17(15)8-13(16)3;1-2/h4-10,19H,1-3H3;1-2H3
InChIKeyRWVKQJVLAWPAHW-UHFFFAOYSA-N
XLogP4.55
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
CID 110734310
N-(4-amino-2-methyl-5-nitrophenyl)-4-methylbenzenesulfonamide
CID 18413392
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-4-nitrobenzenesulfonamide
CID 141414514
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one
CID 143196035
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
CID 4856201
4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 4856212

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane?
The IUPAC name of N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane (CID 178026568) is N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane.
What is the SMILES notation for N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane?
The canonical SMILES for N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane is CC.Cc1ccc(S(=O)(=O)Nc2cc3c(C)cc(=O)oc3cc2C)cc1.
What is the InChIKey of N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane?
The InChIKey is RWVKQJVLAWPAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S.C2H6/c1-11-4-6-14(7-5-11)24(21,22)19-16-10-15-12(2)9-18(20)23-17(15)8-13(16)3;1-2/h4-10,19H,1-3H3;1-2H3.
What are the key properties of N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane?
N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane has a molecular weight of 373.47 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane is sourced from PubChem (CID 178026568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).