N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide

C25H29N3O2S — CID 174523503

IUPACN-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILES[H]/N=C(/Cc1ccccc1)CC(C)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C25H29N3O2S/c1-18(2)21-9-12-24(13-10-21)31(29,30)28-23-11-14-25(27-17-23)19(3)15-22(26)16-20-7-5-4-6-8-20/h4-14,17-19,26,28H,15-16H2,1-3H3/b26-22+
InChIKeyZBZMBJQVERJBCU-XTCLZLMSSA-N
MW435.59 g/mol
LogP5.76
Rot. Bonds9

About N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide

N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 174523503) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID174523503
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILES[H]/N=C(/Cc1ccccc1)CC(C)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C25H29N3O2S/c1-18(2)21-9-12-24(13-10-21)31(29,30)28-23-11-14-25(27-17-23)19(3)15-22(26)16-20-7-5-4-6-8-20/h4-14,17-19,26,28H,15-16H2,1-3H3/b26-22+
InChIKeyZBZMBJQVERJBCU-XTCLZLMSSA-N
XLogP5.76
TPSA82.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
2-[benzyl(methyl)amino]-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024608
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 68689364
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide
CID 177349056
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
2-[2-[3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68691582

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide (CID 174523503) is N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide is [H]/N=C(/Cc1ccccc1)CC(C)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cn1.
What is the InChIKey of N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is ZBZMBJQVERJBCU-XTCLZLMSSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-18(2)21-9-12-24(13-10-21)31(29,30)28-23-11-14-25(27-17-23)19(3)15-22(26)16-20-7-5-4-6-8-20/h4-14,17-19,26,28H,15-16H2,1-3H3/b26-22+.
What are the key properties of N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 435.59 g/mol, XLogP of 5.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-imino-5-phenylpentan-2-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 174523503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).