N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide

C21H23N3O2S — CID 113031285

IUPACN-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cn2)cc1
InChIInChI=1S/C21H23N3O2S/c1-21(2,3)16-9-12-19(13-10-16)27(25,26)24-20-14-11-18(15-22-20)23-17-7-5-4-6-8-17/h4-15,23H,1-3H3,(H,22,24)
InChIKeyIZPMPHZMDFPFLE-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.92
Rot. Bonds5

About N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide

N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide (PubChem CID 113031285) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
PubChem CID113031285
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cn2)cc1
InChIInChI=1S/C21H23N3O2S/c1-21(2,3)16-9-12-19(13-10-16)27(25,26)24-20-14-11-18(15-22-20)23-17-7-5-4-6-8-17/h4-15,23H,1-3H3,(H,22,24)
InChIKeyIZPMPHZMDFPFLE-UHFFFAOYSA-N
XLogP4.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113024340
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide
CID 113035173
N-[5-(4-tert-butylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113032967
6-tert-butyl-N-phenylpyridin-3-amine
CID 138500466
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113035556
N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113018175
N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide
CID 113036847
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113033802

Frequently Asked Questions

What is the IUPAC name of N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide (CID 113031285) is N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cn2)cc1.
What is the InChIKey of N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide?
The InChIKey is IZPMPHZMDFPFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-21(2,3)16-9-12-19(13-10-16)27(25,26)24-20-14-11-18(15-22-20)23-17-7-5-4-6-8-17/h4-15,23H,1-3H3,(H,22,24).
What are the key properties of N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide?
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 113031285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).