N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide

C24H19NO3S — CID 102105080

IUPACN-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2c3ccccc3Oc3c2ccc2ccccc32)cc1
InChIInChI=1S/C24H19NO3S/c1-16-10-13-18(14-11-16)29(26,27)25-23-20-8-4-5-9-22(20)28-24-19-7-3-2-6-17(19)12-15-21(23)24/h2-15,23,25H,1H3
InChIKeyHTRAUBNQMDXYCN-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.32
Rot. Bonds3

About N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide

N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide (PubChem CID 102105080) has the molecular formula C24H19NO3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide
PubChem CID102105080
Molecular FormulaC24H19NO3S
Molecular Weight401.49 g/mol
Exact Mass401.11
IUPAC NameN-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2c3ccccc3Oc3c2ccc2ccccc32)cc1
InChIInChI=1S/C24H19NO3S/c1-16-10-13-18(14-11-16)29(26,27)25-23-20-8-4-5-9-22(20)28-24-19-7-3-2-6-17(19)12-15-21(23)24/h2-15,23,25H,1H3
InChIKeyHTRAUBNQMDXYCN-UHFFFAOYSA-N
XLogP5.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide
CID 102105075
N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide
CID 102040404
methyl 4-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)-4H-chromene-3-carboxylate
CID 102299766
4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide
CID 139184409
methyl 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate
CID 102299763
9-methyl-7H-benzo[c]xanthene-7-carbaldehyde
CID 175020806
4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
CID 135033857
N-(9H-xanthen-9-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4786910
N-[(1S,2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,2-dihydroacenaphthylen-1-yl]-4-methylbenzenesulfonamide
CID 2345235
4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide
CID 102141019
4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide
CID 134382089
[(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate
CID 174784380

Frequently Asked Questions

What is the IUPAC name of N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide (CID 102105080) is N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2c3ccccc3Oc3c2ccc2ccccc32)cc1.
What is the InChIKey of N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide?
The InChIKey is HTRAUBNQMDXYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3S/c1-16-10-13-18(14-11-16)29(26,27)25-23-20-8-4-5-9-22(20)28-24-19-7-3-2-6-17(19)12-15-21(23)24/h2-15,23,25H,1H3.
What are the key properties of N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide?
N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 102105080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).