N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide

C21H19NO4S — CID 102105075

IUPACN-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide
SMILESCOc1ccc2c(c1)Oc1ccccc1C2NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H19NO4S/c1-14-7-10-16(11-8-14)27(23,24)22-21-17-5-3-4-6-19(17)26-20-13-15(25-2)9-12-18(20)21/h3-13,21-22H,1-2H3
InChIKeyDNRGEAHKNKERBW-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.18
Rot. Bonds4

About N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide

N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide (PubChem CID 102105075) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide
PubChem CID102105075
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC NameN-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide
SMILESCOc1ccc2c(c1)Oc1ccccc1C2NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H19NO4S/c1-14-7-10-16(11-8-14)27(23,24)22-21-17-5-3-4-6-19(17)26-20-13-15(25-2)9-12-18(20)21/h3-13,21-22H,1-2H3
InChIKeyDNRGEAHKNKERBW-UHFFFAOYSA-N
XLogP4.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate
CID 102467673
N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide
CID 102105080
methyl 4-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)-4H-chromene-3-carboxylate
CID 102299766
methyl 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate
CID 102299763
N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide
CID 102040404
methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate
CID 102595137
N-(9H-xanthen-9-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4786910
4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
CID 135033857
N-[4-methoxy-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine
CID 12535327
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 165430397
4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 154859038
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide (CID 102105075) is N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide is COc1ccc2c(c1)Oc1ccccc1C2NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide?
The InChIKey is DNRGEAHKNKERBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-14-7-10-16(11-8-14)27(23,24)22-21-17-5-3-4-6-19(17)26-20-13-15(25-2)9-12-18(20)21/h3-13,21-22H,1-2H3.
What are the key properties of N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide?
N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 102105075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).