N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide

C16H21N3O2S — CID 113031365

IUPACN-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccccc2C)cn1
InChIInChI=1S/C16H21N3O2S/c1-3-4-11-22(20,21)19-16-10-9-14(12-17-16)18-15-8-6-5-7-13(15)2/h5-10,12,18H,3-4,11H2,1-2H3,(H,17,19)
InChIKeyDQQWVIKXBZGXNX-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.68
Rot. Bonds7

About N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide

N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide (PubChem CID 113031365) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
PubChem CID113031365
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccccc2C)cn1
InChIInChI=1S/C16H21N3O2S/c1-3-4-11-22(20,21)19-16-10-9-14(12-17-16)18-15-8-6-5-7-13(15)2/h5-10,12,18H,3-4,11H2,1-2H3,(H,17,19)
InChIKeyDQQWVIKXBZGXNX-UHFFFAOYSA-N
XLogP3.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate
CID 113037031
N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113032063
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113017701
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113021517
N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113023763
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113026308
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113018948
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113026569
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide
CID 113013406

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide (CID 113031365) is N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2ccccc2C)cn1.
What is the InChIKey of N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide?
The InChIKey is DQQWVIKXBZGXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-4-11-22(20,21)19-16-10-9-14(12-17-16)18-15-8-6-5-7-13(15)2/h5-10,12,18H,3-4,11H2,1-2H3,(H,17,19).
What are the key properties of N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide?
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 113031365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).