2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide

C21H23N3O2S — CID 113011925

IUPAC2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(NC(C)c3ccccc3)nc2)c1
InChIInChI=1S/C21H23N3O2S/c1-15-9-10-16(2)20(13-15)27(25,26)24-19-11-12-21(22-14-19)23-17(3)18-7-5-4-6-8-18/h4-14,17,24H,1-3H3,(H,22,23)
InChIKeyUDSHCOOEOALLDQ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.67
Rot. Bonds6

About 2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide

2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113011925) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID113011925
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(NC(C)c3ccccc3)nc2)c1
InChIInChI=1S/C21H23N3O2S/c1-15-9-10-16(2)20(13-15)27(25,26)24-19-11-12-21(22-14-19)23-17(3)18-7-5-4-6-8-18/h4-14,17,24H,1-3H3,(H,22,23)
InChIKeyUDSHCOOEOALLDQ-UHFFFAOYSA-N
XLogP4.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
CID 113009175
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113009793
2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016520
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113037114
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026317
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113010296
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide (CID 113011925) is 2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(NC(C)c3ccccc3)nc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is UDSHCOOEOALLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15-9-10-16(2)20(13-15)27(25,26)24-19-11-12-21(22-14-19)23-17(3)18-7-5-4-6-8-18/h4-14,17,24H,1-3H3,(H,22,23).
What are the key properties of 2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide?
2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113011925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).