N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride

C22H21ClN2O3S — CID 16667693

IUPACN-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride
SMILESCOc1cc(NS(C)(=O)=O)ccc1Cc1c2ccccc2nc2ccccc12.Cl
InChIInChI=1S/C22H20N2O3S.ClH/c1-27-22-14-16(24-28(2,25)26)12-11-15(22)13-19-17-7-3-5-9-20(17)23-21-10-6-4-8-18(19)21;/h3-12,14,24H,13H2,1-2H3;1H
InChIKeyBVCVPWKWOSOVKB-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.78
Rot. Bonds5

About N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride

N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride (PubChem CID 16667693) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride
PubChem CID16667693
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC NameN-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride
SMILESCOc1cc(NS(C)(=O)=O)ccc1Cc1c2ccccc2nc2ccccc12.Cl
InChIInChI=1S/C22H20N2O3S.ClH/c1-27-22-14-16(24-28(2,25)26)12-11-15(22)13-19-17-7-3-5-9-20(17)23-21-10-6-4-8-18(19)21;/h3-12,14,24H,13H2,1-2H3;1H
InChIKeyBVCVPWKWOSOVKB-UHFFFAOYSA-N
XLogP4.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride (CID 16667693) is N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride is COc1cc(NS(C)(=O)=O)ccc1Cc1c2ccccc2nc2ccccc12.Cl.
What is the InChIKey of N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride?
The InChIKey is BVCVPWKWOSOVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S.ClH/c1-27-22-14-16(24-28(2,25)26)12-11-15(22)13-19-17-7-3-5-9-20(17)23-21-10-6-4-8-18(19)21;/h3-12,14,24H,13H2,1-2H3;1H.
What are the key properties of N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride?
N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride has a molecular weight of 428.94 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 16667693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).