4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide

C22H22N4O3S — CID 145492530

IUPAC4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide
SMILES[H]/N=C(\c1ccccc1OC)c1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cnc1N
InChIInChI=1S/C22H22N4O3S/c1-29-20-5-3-2-4-18(20)21(23)19-12-15(13-25-22(19)24)14-6-10-17(11-7-14)30(27,28)26-16-8-9-16/h2-7,10-13,16,23,26H,8-9H2,1H3,(H2,24,25)/b23-21+
InChIKeyDTNWTQNJNGZIAH-XTQSDGFTSA-N
MW422.51 g/mol
LogP3.20
Rot. Bonds7

About 4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide

4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 145492530) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide
PubChem CID145492530
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide
SMILES[H]/N=C(\c1ccccc1OC)c1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cnc1N
InChIInChI=1S/C22H22N4O3S/c1-29-20-5-3-2-4-18(20)21(23)19-12-15(13-25-22(19)24)14-6-10-17(11-7-14)30(27,28)26-16-8-9-16/h2-7,10-13,16,23,26H,8-9H2,1H3,(H2,24,25)/b23-21+
InChIKeyDTNWTQNJNGZIAH-XTQSDGFTSA-N
XLogP3.20
TPSA118.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide
CID 70654610
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide
CID 55895850
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
2-amino-N-(4-methylcyclohexyl)-5-phenylpyridine-3-carboxamide
CID 134202942
4-(cyclopropylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32611210
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
CID 119967645
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561620
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119967644

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide (CID 145492530) is 4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide is [H]/N=C(\c1ccccc1OC)c1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cnc1N.
What is the InChIKey of 4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is DTNWTQNJNGZIAH-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-29-20-5-3-2-4-18(20)21(23)19-12-15(13-25-22(19)24)14-6-10-17(11-7-14)30(27,28)26-16-8-9-16/h2-7,10-13,16,23,26H,8-9H2,1H3,(H2,24,25)/b23-21+.
What are the key properties of 4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide?
4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 422.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(2-methoxybenzenecarboximidoyl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 145492530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).