N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide

C21H23N3O2S — CID 113016162

IUPACN-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C21H23N3O2S/c1-15(2)17-8-11-19(12-9-17)27(25,26)24-18-10-13-21(22-14-18)23-20-7-5-4-6-16(20)3/h4-15,24H,1-3H3,(H,22,23)
InChIKeyUAUVTOZUYJJKEW-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.06
Rot. Bonds6

About N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide

N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 113016162) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID113016162
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C21H23N3O2S/c1-15(2)17-8-11-19(12-9-17)27(25,26)24-18-10-13-21(22-14-18)23-20-7-5-4-6-16(20)3/h4-15,24H,1-3H3,(H,22,23)
InChIKeyUAUVTOZUYJJKEW-UHFFFAOYSA-N
XLogP5.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018469
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113022925
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018806
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 113019644
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide (CID 113016162) is N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide is Cc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cn1.
What is the InChIKey of N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is UAUVTOZUYJJKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15(2)17-8-11-19(12-9-17)27(25,26)24-18-10-13-21(22-14-18)23-20-7-5-4-6-16(20)3/h4-15,24H,1-3H3,(H,22,23).
What are the key properties of N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113016162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).