N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide

C16H24ClN3O2S — CID 3990078

IUPACN,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N
InChIInChI=1S/C16H24ClN3O2S/c1-5-7-9-20(10-8-6-2)23(21,22)16-14(11-18)12(3)15(17)13(4)19-16/h5-10H2,1-4H3
InChIKeyMYCJHYBHXQAKBJ-UHFFFAOYSA-N
MW357.91 g/mol
LogP3.81
Rot. Bonds8

About N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide

N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide (PubChem CID 3990078) has the molecular formula C16H24ClN3O2S and a molecular weight of 357.91 g/mol. Its IUPAC name is N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide
PubChem CID3990078
Molecular FormulaC16H24ClN3O2S
Molecular Weight357.91 g/mol
Exact Mass357.13
IUPAC NameN,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N
InChIInChI=1S/C16H24ClN3O2S/c1-5-7-9-20(10-8-6-2)23(21,22)16-14(11-18)12(3)15(17)13(4)19-16/h5-10H2,1-4H3
InChIKeyMYCJHYBHXQAKBJ-UHFFFAOYSA-N
XLogP3.81
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-4-(2,3,4-trichloro-5,6-dicyanophenoxy)benzenesulfonamide
CID 141372834
5-chloro-2-(ethylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 155040763
N'-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfonyl]-N-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide
CID 53297698
5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide
CID 61047067
tert-butyl 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetate
CID 154666939
N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455931
N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide
CID 3332180
5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63751803
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 55242170
N,N-dibutyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103304336

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide?
The IUPAC name of N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide (CID 3990078) is N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide.
What is the SMILES notation for N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide?
The canonical SMILES for N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N.
What is the InChIKey of N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide?
The InChIKey is MYCJHYBHXQAKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2S/c1-5-7-9-20(10-8-6-2)23(21,22)16-14(11-18)12(3)15(17)13(4)19-16/h5-10H2,1-4H3.
What are the key properties of N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide?
N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide has a molecular weight of 357.91 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-chloro-3-cyano-4,6-dimethylpyridine-2-sulfonamide is sourced from PubChem (CID 3990078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).