N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide

C18H22N4O3S — CID 74232256

IUPACN-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide
SMILESCC1CCCN1C(=O)c1cccc(S(=O)(=O)N(C)Cc2cnccn2)c1
InChIInChI=1S/C18H22N4O3S/c1-14-5-4-10-22(14)18(23)15-6-3-7-17(11-15)26(24,25)21(2)13-16-12-19-8-9-20-16/h3,6-9,11-12,14H,4-5,10,13H2,1-2H3
InChIKeySFZCGTJUPKMCKV-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide

N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide (PubChem CID 74232256) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide
PubChem CID74232256
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide
SMILESCC1CCCN1C(=O)c1cccc(S(=O)(=O)N(C)Cc2cnccn2)c1
InChIInChI=1S/C18H22N4O3S/c1-14-5-4-10-22(14)18(23)15-6-3-7-17(11-15)26(24,25)21(2)13-16-12-19-8-9-20-16/h3,6-9,11-12,14H,4-5,10,13H2,1-2H3
InChIKeySFZCGTJUPKMCKV-UHFFFAOYSA-N
XLogP1.92
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-N-methyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 74234202
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446
(3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide
CID 97348630
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
N-methyl-N-phenyl-3-[(2S)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 34477512
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 93232744
N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 74246850
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119632815
3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide
CID 52517146
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354676

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide (CID 74232256) is N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide is CC1CCCN1C(=O)c1cccc(S(=O)(=O)N(C)Cc2cnccn2)c1.
What is the InChIKey of N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide?
The InChIKey is SFZCGTJUPKMCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-14-5-4-10-22(14)18(23)15-6-3-7-17(11-15)26(24,25)21(2)13-16-12-19-8-9-20-16/h3,6-9,11-12,14H,4-5,10,13H2,1-2H3.
What are the key properties of N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide?
N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 74232256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).