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

C16H21N3O2S — CID 113023639

IUPAC4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)cn2)cc1
InChIInChI=1S/C16H21N3O2S/c1-4-13-5-8-15(9-6-13)22(20,21)19-16-10-7-14(11-17-16)18-12(2)3/h5-12,18H,4H2,1-3H3,(H,17,19)
InChIKeyPAHXXBZMYYGYJC-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.27
Rot. Bonds6

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

4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113023639) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113023639
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)cn2)cc1
InChIInChI=1S/C16H21N3O2S/c1-4-13-5-8-15(9-6-13)22(20,21)19-16-10-7-14(11-17-16)18-12(2)3/h5-12,18H,4H2,1-3H3,(H,17,19)
InChIKeyPAHXXBZMYYGYJC-UHFFFAOYSA-N
XLogP3.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide
CID 113009794
4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037996
N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide
CID 113037323
N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113024340
4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023662
N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032534
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023499
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030332
4-ethyl-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113026011

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide (CID 113023639) is 4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)cn2)cc1.
What is the InChIKey of 4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is PAHXXBZMYYGYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-13-5-8-15(9-6-13)22(20,21)19-16-10-7-14(11-17-16)18-12(2)3/h5-12,18H,4H2,1-3H3,(H,17,19).
What are the key properties of 4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide?
4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113023639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).