N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide

C18H21N5O3S — CID 126772926

IUPACN-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cn1
InChIInChI=1S/C18H21N5O3S/c1-14-3-4-15(11-19-14)9-10-22-27(24,25)17-7-5-16(6-8-17)26-12-18-20-13-21-23(18)2/h3-8,11,13,22H,9-10,12H2,1-2H3
InChIKeyOTMWABUQAYQUGO-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.62
Rot. Bonds8

About N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide

N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide (PubChem CID 126772926) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
PubChem CID126772926
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cn1
InChIInChI=1S/C18H21N5O3S/c1-14-3-4-15(11-19-14)9-10-22-27(24,25)17-7-5-16(6-8-17)26-12-18-20-13-21-23(18)2/h3-8,11,13,22H,9-10,12H2,1-2H3
InChIKeyOTMWABUQAYQUGO-UHFFFAOYSA-N
XLogP1.62
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide with MolForge

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Related Compounds

N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 120825445
4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974217
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride
CID 120724129
N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 119993089
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 119967851
4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 63008707
ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate
CID 65416220
4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106073262
N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methanamine
CID 79775503
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 62149396

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide?
The IUPAC name of N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide (CID 126772926) is N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide?
The canonical SMILES for N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide is Cc1ccc(CCNS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cn1.
What is the InChIKey of N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide?
The InChIKey is OTMWABUQAYQUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-14-3-4-15(11-19-14)9-10-22-27(24,25)17-7-5-16(6-8-17)26-12-18-20-13-21-23(18)2/h3-8,11,13,22H,9-10,12H2,1-2H3.
What are the key properties of N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide?
N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 126772926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).