N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide

C19H17NO3S — CID 86188663

IUPACN-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OC1=CCCCC1=C2)c1ccccc1
InChIInChI=1S/C19H17NO3S/c21-24(22,17-7-2-1-3-8-17)20-16-11-10-15-12-14-6-4-5-9-18(14)23-19(15)13-16/h1-3,7-13,20H,4-6H2
InChIKeyPRCJVMZUIQKKLX-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.33
Rot. Bonds3

About N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide

N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide (PubChem CID 86188663) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide
PubChem CID86188663
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OC1=CCCCC1=C2)c1ccccc1
InChIInChI=1S/C19H17NO3S/c21-24(22,17-7-2-1-3-8-17)20-16-11-10-15-12-14-6-4-5-9-18(14)23-19(15)13-16/h1-3,7-13,20H,4-6H2
InChIKeyPRCJVMZUIQKKLX-UHFFFAOYSA-N
XLogP4.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide?
The IUPAC name of N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide (CID 86188663) is N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide?
The canonical SMILES for N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OC1=CCCCC1=C2)c1ccccc1.
What is the InChIKey of N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide?
The InChIKey is PRCJVMZUIQKKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c21-24(22,17-7-2-1-3-8-17)20-16-11-10-15-12-14-6-4-5-9-18(14)23-19(15)13-16/h1-3,7-13,20H,4-6H2.
What are the key properties of N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide?
N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide is sourced from PubChem (CID 86188663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).