N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide

C19H23N3O3S — CID 120807745

IUPACN-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCC1(CN)CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C1
InChIInChI=1S/C19H23N3O3S/c1-19(13-20)10-11-22(14-19)18(23)15-6-5-7-16(12-15)21-26(24,25)17-8-3-2-4-9-17/h2-9,12,21H,10-11,13-14,20H2,1H3
InChIKeyFZRHKNZTTGRGML-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.30
Rot. Bonds5

About N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide

N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 120807745) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID120807745
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCC1(CN)CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C1
InChIInChI=1S/C19H23N3O3S/c1-19(13-20)10-11-22(14-19)18(23)15-6-5-7-16(12-15)21-26(24,25)17-8-3-2-4-9-17/h2-9,12,21H,10-11,13-14,20H2,1H3
InChIKeyFZRHKNZTTGRGML-UHFFFAOYSA-N
XLogP2.30
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 120806019
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120809182
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 120804177
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120804882
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 120806066
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 120809683
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 107160125
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 120809661
1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 120804113
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 120804908
N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 158352401
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide (CID 120807745) is N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide is CC1(CN)CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C1.
What is the InChIKey of N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is FZRHKNZTTGRGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-19(13-20)10-11-22(14-19)18(23)15-6-5-7-16(12-15)21-26(24,25)17-8-3-2-4-9-17/h2-9,12,21H,10-11,13-14,20H2,1H3.
What are the key properties of N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide?
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 120807745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).