N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide

C20H17N3O2S — CID 10428796

IUPACN-[2-(acridin-9-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C20H17N3O2S/c1-26(24,25)23-19-13-7-6-12-18(19)22-20-14-8-2-4-10-16(14)21-17-11-5-3-9-15(17)20/h2-13,23H,1H3,(H,21,22)
InChIKeyRFPNRHJOPUIHFQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.50
Rot. Bonds4

About N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide

N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide (PubChem CID 10428796) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(acridin-9-ylamino)phenyl]methanesulfonamide
PubChem CID10428796
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[2-(acridin-9-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C20H17N3O2S/c1-26(24,25)23-19-13-7-6-12-18(19)22-20-14-8-2-4-10-16(14)21-17-11-5-3-9-15(17)20/h2-13,23H,1H3,(H,21,22)
InChIKeyRFPNRHJOPUIHFQ-UHFFFAOYSA-N
XLogP4.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(acridin-9-ylamino)benzenesulfonamide;hydrate;hydrochloride
CID 21123317
methyl N-[2-(acridin-9-ylamino)phenyl]carbamate;hydrochloride
CID 138402094
N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide
CID 14421696
N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide
CID 90674998
N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide
CID 154702021
N-[4-(benzo[b][1,8]phenanthrolin-7-ylamino)phenyl]methanesulfonamide
CID 10409541
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 86738977
[4-(acridin-9-ylamino)-3-(2-methoxyethyl)phenyl]sulfamoyl methanesulfonate
CID 155095239
N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
CID 5488121
N-[2-[[5-fluoro-2-[2-(methanesulfonamido)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 22060597
N-[2-[9-[2-(acridin-9-ylamino)phenoxy]nonoxy]phenyl]acridin-9-amine;dihydrochloride
CID 138401067
N-[2-[7-[2-(acridin-9-ylamino)phenoxy]heptoxy]phenyl]acridin-9-amine;hydrochloride
CID 90680004

Frequently Asked Questions

What is the IUPAC name of N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide (CID 10428796) is N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide?
The InChIKey is RFPNRHJOPUIHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-26(24,25)23-19-13-7-6-12-18(19)22-20-14-8-2-4-10-16(14)21-17-11-5-3-9-15(17)20/h2-13,23H,1H3,(H,21,22).
What are the key properties of N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide?
N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 10428796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).