N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C18H25N3O3S — CID 113009809

IUPACN-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cn1
InChIInChI=1S/C18H25N3O3S/c1-6-14(4)20-18-8-7-15(11-19-18)21-25(22,23)17-10-13(3)12(2)9-16(17)24-5/h7-11,14,21H,6H2,1-5H3,(H,19,20)
InChIKeyZPWYWPSYZVJGIX-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.72
Rot. Bonds7

About N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 113009809) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID113009809
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cn1
InChIInChI=1S/C18H25N3O3S/c1-6-14(4)20-18-8-7-15(11-19-18)21-25(22,23)17-10-13(3)12(2)9-16(17)24-5/h7-11,14,21H,6H2,1-5H3,(H,19,20)
InChIKeyZPWYWPSYZVJGIX-UHFFFAOYSA-N
XLogP3.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 112980539
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113009793
2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113024189
2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009412
N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide
CID 113009794
2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027719
4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113025121
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 113024346
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009808
2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
CID 113009175
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447

Frequently Asked Questions

What is the IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 113009809) is N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is CCC(C)Nc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cn1.
What is the InChIKey of N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is ZPWYWPSYZVJGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-6-14(4)20-18-8-7-15(11-19-18)21-25(22,23)17-10-13(3)12(2)9-16(17)24-5/h7-11,14,21H,6H2,1-5H3,(H,19,20).
What are the key properties of N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113009809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).