4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide

C21H19NO3S — CID 102105078

IUPAC4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccc(C)cc32)cc1
InChIInChI=1S/C21H19NO3S/c1-14-7-10-16(11-8-14)26(23,24)22-21-17-5-3-4-6-19(17)25-20-12-9-15(2)13-18(20)21/h3-13,21-22H,1-2H3
InChIKeyMEMLNVJOQFEXLM-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.48
Rot. Bonds3

About 4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide

4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide (PubChem CID 102105078) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide
PubChem CID102105078
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccc(C)cc32)cc1
InChIInChI=1S/C21H19NO3S/c1-14-7-10-16(11-8-14)26(23,24)22-21-17-5-3-4-6-19(17)25-20-12-9-15(2)13-18(20)21/h3-13,21-22H,1-2H3
InChIKeyMEMLNVJOQFEXLM-UHFFFAOYSA-N
XLogP4.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide (CID 102105078) is 4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccc(C)cc32)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide?
The InChIKey is MEMLNVJOQFEXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-14-7-10-16(11-8-14)26(23,24)22-21-17-5-3-4-6-19(17)25-20-12-9-15(2)13-18(20)21/h3-13,21-22H,1-2H3.
What are the key properties of 4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide?
4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-9H-xanthen-9-yl)benzenesulfonamide is sourced from PubChem (CID 102105078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).