N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide

C17H23N3O2S — CID 113009794

IUPACN-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NC(C)CC)nc2)cc1
InChIInChI=1S/C17H23N3O2S/c1-4-13(3)19-17-11-8-15(12-18-17)20-23(21,22)16-9-6-14(5-2)7-10-16/h6-13,20H,4-5H2,1-3H3,(H,18,19)
InChIKeyZMGSPABOOVMGBJ-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.66
Rot. Bonds7

About N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide

N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide (PubChem CID 113009794) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide
PubChem CID113009794
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NC(C)CC)nc2)cc1
InChIInChI=1S/C17H23N3O2S/c1-4-13(3)19-17-11-8-15(12-18-17)20-23(21,22)16-9-6-14(5-2)7-10-16/h6-13,20H,4-5H2,1-3H3,(H,18,19)
InChIKeyZMGSPABOOVMGBJ-UHFFFAOYSA-N
XLogP3.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023639
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009808
N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113024340
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113009793
N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113009809
N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037996
N-butan-2-yl-5-hydrazinylpyridin-2-amine
CID 55282176
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552
N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide
CID 113037323
N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide
CID 124587750
4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683655

Frequently Asked Questions

What is the IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide (CID 113009794) is N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(NC(C)CC)nc2)cc1.
What is the InChIKey of N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide?
The InChIKey is ZMGSPABOOVMGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-13(3)19-17-11-8-15(12-18-17)20-23(21,22)16-9-6-14(5-2)7-10-16/h6-13,20H,4-5H2,1-3H3,(H,18,19).
What are the key properties of N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide?
N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 113009794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).