1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide

C22H23N3O6S2 — CID 55895850

IUPAC1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide
SMILESCOc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cn1
InChIInChI=1S/C22H23N3O6S2/c1-15-3-11-20(21(13-15)30-2)31-22-12-6-17(14-23-22)25-33(28,29)19-9-7-18(8-10-19)32(26,27)24-16-4-5-16/h3,6-14,16,24-25H,4-5H2,1-2H3
InChIKeyBVFVAEVGSHVRKV-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.43
Rot. Bonds9

About 1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide

1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide (PubChem CID 55895850) has the molecular formula C22H23N3O6S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide
PubChem CID55895850
Molecular FormulaC22H23N3O6S2
Molecular Weight489.58 g/mol
Exact Mass489.10
IUPAC Name1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide
SMILESCOc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cn1
InChIInChI=1S/C22H23N3O6S2/c1-15-3-11-20(21(13-15)30-2)31-22-12-6-17(14-23-22)25-33(28,29)19-9-7-18(8-10-19)32(26,27)24-16-4-5-16/h3,6-14,16,24-25H,4-5H2,1-2H3
InChIKeyBVFVAEVGSHVRKV-UHFFFAOYSA-N
XLogP3.43
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide with MolForge

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Related Compounds

N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582665
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide
CID 42878477
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide
CID 55939550
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
CID 35506541
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide
CID 55930463
4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 110620835
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide
CID 55743472
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 42691246
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55675008
3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
CID 55787755
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide?
The IUPAC name of 1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide (CID 55895850) is 1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide is COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cn1.
What is the InChIKey of 1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide?
The InChIKey is BVFVAEVGSHVRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S2/c1-15-3-11-20(21(13-15)30-2)31-22-12-6-17(14-23-22)25-33(28,29)19-9-7-18(8-10-19)32(26,27)24-16-4-5-16/h3,6-14,16,24-25H,4-5H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide?
1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide has a molecular weight of 489.58 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 55895850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).