N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide

C18H21N3O3S — CID 132533990

IUPACN-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc([C@@H]2CN=C(NS(=O)(=O)c3ccc(C)cc3)CN2)cc1
InChIInChI=1S/C18H21N3O3S/c1-13-3-9-16(10-4-13)25(22,23)21-18-12-19-17(11-20-18)14-5-7-15(24-2)8-6-14/h3-10,17,19H,11-12H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyFPFMNJHVDYYQHL-KRWDZBQOSA-N
MW359.45 g/mol
LogP2.02
Rot. Bonds4

About N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide

N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide (PubChem CID 132533990) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
PubChem CID132533990
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc([C@@H]2CN=C(NS(=O)(=O)c3ccc(C)cc3)CN2)cc1
InChIInChI=1S/C18H21N3O3S/c1-13-3-9-16(10-4-13)25(22,23)21-18-12-19-17(11-20-18)14-5-7-15(24-2)8-6-14/h3-10,17,19H,11-12H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyFPFMNJHVDYYQHL-KRWDZBQOSA-N
XLogP2.02
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
CID 134957986
N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide
CID 125493248
CID 89209993
CID 89209993
N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 11696675
N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
CID 23604885
4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
CID 10527153
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
(5S)-5-(4-methoxyphenyl)piperazin-2-one
CID 124546630
4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide
CID 132523995
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide (CID 132533990) is N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide is COc1ccc([C@@H]2CN=C(NS(=O)(=O)c3ccc(C)cc3)CN2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide?
The InChIKey is FPFMNJHVDYYQHL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-3-9-16(10-4-13)25(22,23)21-18-12-19-17(11-20-18)14-5-7-15(24-2)8-6-14/h3-10,17,19H,11-12H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide?
N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 132533990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).