N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide

C20H18N3O2S+ — CID 5231772

IUPACN-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc23)cc1
InChIInChI=1S/C20H17N3O2S/c1-26(24,25)23-15-12-10-14(11-13-15)21-20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20/h2-13,23H,1H3,(H,21,22)/p+1
InChIKeyQDTNJAYLSJACEQ-UHFFFAOYSA-O
MW364.45 g/mol
LogP3.92
Rot. Bonds4

About N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide

N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide (PubChem CID 5231772) has the molecular formula C20H18N3O2S+ and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide
PubChem CID5231772
Molecular FormulaC20H18N3O2S+
Molecular Weight364.45 g/mol
Exact Mass364.11
IUPAC NameN-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc23)cc1
InChIInChI=1S/C20H17N3O2S/c1-26(24,25)23-15-12-10-14(11-13-15)21-20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20/h2-13,23H,1H3,(H,21,22)/p+1
InChIKeyQDTNJAYLSJACEQ-UHFFFAOYSA-O
XLogP3.92
TPSA72.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide
CID 112989678
N-[4-(2-bromoanilino)phenyl]methanesulfonamide
CID 112989037
N-[4-(benzo[b][1,8]phenanthrolin-7-ylamino)phenyl]methanesulfonamide
CID 10409541
CID 23176875
CID 23176875
N-[4-(N-phenylanilino)phenyl]methanesulfonamide
CID 20654643
CID 90390717
CID 90390717
aniline;N-phenylmethanesulfonamide
CID 157318284
N-pyridin-1-ium-4-ylmethanesulfonamide chloride
CID 44887109
ethyl 2-[4-(methanesulfonamido)anilino]benzoate
CID 112989811
N-[4-(2-methylphenyl)phenyl]methanesulfonamide
CID 59877138
diazene;ethane;N-phenylmethanesulfonamide
CID 164925961
2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide
CID 166231972

Frequently Asked Questions

What is the IUPAC name of N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide (CID 5231772) is N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc23)cc1.
What is the InChIKey of N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide?
The InChIKey is QDTNJAYLSJACEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H17N3O2S/c1-26(24,25)23-15-12-10-14(11-13-15)21-20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20/h2-13,23H,1H3,(H,21,22)/p+1.
What are the key properties of N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide?
N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acridin-10-ium-9-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 5231772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).