1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide

C23H25N3O4S2 — CID 146094199

IUPAC1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)NC(CCc2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C23H25N3O4S2/c27-31(28,25-19-10-11-19)20-12-14-21(15-13-20)32(29,30)26-23(22-8-4-5-17-24-22)16-9-18-6-2-1-3-7-18/h1-8,12-15,17,19,23,25-26H,9-11,16H2
InChIKeyKNSLWCYBFBAKLI-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.17
Rot. Bonds10

About 1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide

1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide (PubChem CID 146094199) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide
PubChem CID146094199
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)NC(CCc2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C23H25N3O4S2/c27-31(28,25-19-10-11-19)20-12-14-21(15-13-20)32(29,30)26-23(22-8-4-5-17-24-22)16-9-18-6-2-1-3-7-18/h1-8,12-15,17,19,23,25-26H,9-11,16H2
InChIKeyKNSLWCYBFBAKLI-UHFFFAOYSA-N
XLogP3.17
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyridin-2-yltridecyl)benzenesulfonamide
CID 54173262
4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
CID 134060499
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid
CID 166266133
N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120885122
(2S)-2-(cyclopropylsulfamoylamino)-4-phenylbutanoic acid
CID 104983280
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 30126683
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide?
The IUPAC name of 1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide (CID 146094199) is 1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide is O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)NC(CCc2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide?
The InChIKey is KNSLWCYBFBAKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c27-31(28,25-19-10-11-19)20-12-14-21(15-13-20)32(29,30)26-23(22-8-4-5-17-24-22)16-9-18-6-2-1-3-7-18/h1-8,12-15,17,19,23,25-26H,9-11,16H2.
What are the key properties of 1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide?
1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide has a molecular weight of 471.60 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 146094199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).