5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide

C18H17N3O2S — CID 71684004

IUPAC5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide
SMILESNc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C18H17N3O2S/c19-16-11-12-18(20-13-16)24(22,23)21(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13H,14,19H2
InChIKeyVSJKSLKQRVLQOK-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.06
Rot. Bonds5

About 5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide

5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide (PubChem CID 71684004) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide
PubChem CID71684004
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide
SMILESNc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C18H17N3O2S/c19-16-11-12-18(20-13-16)24(22,23)21(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13H,14,19H2
InChIKeyVSJKSLKQRVLQOK-UHFFFAOYSA-N
XLogP3.06
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-phenylpyridine-2-sulfonamide
CID 102301711
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N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide
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N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N-benzyl-3,5-dinitro-N-phenylbenzenesulfonamide
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CID 3125889
2-[benzyl(phenyl)sulfamoyl]benzoic acid
CID 18615547
N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide
CID 22202594
N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 75366177
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
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CID 110300125

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide?
The IUPAC name of 5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide (CID 71684004) is 5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide.
What is the SMILES notation for 5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide?
The canonical SMILES for 5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide is Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide?
The InChIKey is VSJKSLKQRVLQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-16-11-12-18(20-13-16)24(22,23)21(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13H,14,19H2.
What are the key properties of 5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide?
5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide is sourced from PubChem (CID 71684004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).