N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide

C18H25N3O2S — CID 113017701

IUPACN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2c(C)cccc2CC)nc1
InChIInChI=1S/C18H25N3O2S/c1-4-6-12-24(22,23)21-16-10-11-17(19-13-16)20-18-14(3)8-7-9-15(18)5-2/h7-11,13,21H,4-6,12H2,1-3H3,(H,19,20)
InChIKeyDHTKRPPJECVFIR-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.24
Rot. Bonds8

About N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide

N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide (PubChem CID 113017701) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
PubChem CID113017701
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2c(C)cccc2CC)nc1
InChIInChI=1S/C18H25N3O2S/c1-4-6-12-24(22,23)21-16-10-11-17(19-13-16)20-18-14(3)8-7-9-15(18)5-2/h7-11,13,21H,4-6,12H2,1-3H3,(H,19,20)
InChIKeyDHTKRPPJECVFIR-UHFFFAOYSA-N
XLogP4.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018038
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113017714
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113018948
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113021517
N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113023261
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
CID 113020292
1-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113017689
N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113017433
N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide
CID 113032862
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide
CID 113017656
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide
CID 113013406

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide (CID 113017701) is N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2c(C)cccc2CC)nc1.
What is the InChIKey of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide?
The InChIKey is DHTKRPPJECVFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-4-6-12-24(22,23)21-16-10-11-17(19-13-16)20-18-14(3)8-7-9-15(18)5-2/h7-11,13,21H,4-6,12H2,1-3H3,(H,19,20).
What are the key properties of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide?
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide has a molecular weight of 347.48 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 113017701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).