N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide

C20H21N3O2S — CID 113032795

IUPACN-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
SMILESCC(C)c1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-15(2)16-8-10-17(11-9-16)22-18-12-13-20(21-14-18)23-26(24,25)19-6-4-3-5-7-19/h3-15,22H,1-2H3,(H,21,23)
InChIKeyWHRIALWYUPIIPG-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.75
Rot. Bonds6

About N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide

N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113032795) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
PubChem CID113032795
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
SMILESCC(C)c1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-15(2)16-8-10-17(11-9-16)22-18-12-13-20(21-14-18)23-26(24,25)19-6-4-3-5-7-19/h3-15,22H,1-2H3,(H,21,23)
InChIKeyWHRIALWYUPIIPG-UHFFFAOYSA-N
XLogP4.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
CID 113031285
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide
CID 113036847
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113033802
N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide
CID 113035173
N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113022925
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026320
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide (CID 113032795) is N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide is CC(C)c1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nc2)cc1.
What is the InChIKey of N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is WHRIALWYUPIIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15(2)16-8-10-17(11-9-16)22-18-12-13-20(21-14-18)23-26(24,25)19-6-4-3-5-7-19/h3-15,22H,1-2H3,(H,21,23).
What are the key properties of N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide?
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113032795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).