N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride

C19H24ClN3O4S — CID 119484526

IUPACN-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(CN)C2)cc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-26-15-6-8-16(9-7-15)27(24,25)21-18-5-3-2-4-17(18)19(23)22-11-10-14(12-20)13-22;/h2-9,14,21H,10-13,20H2,1H3;1H
InChIKeyDUTFHFGPYFJSGW-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.34
Rot. Bonds6

About N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride

N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride (PubChem CID 119484526) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride
PubChem CID119484526
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC NameN-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(CN)C2)cc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-26-15-6-8-16(9-7-15)27(24,25)21-18-5-3-2-4-17(18)19(23)22-11-10-14(12-20)13-22;/h2-9,14,21H,10-13,20H2,1H3;1H
InChIKeyDUTFHFGPYFJSGW-UHFFFAOYSA-N
XLogP2.34
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[2-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 17311460
N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119484827
4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide;hydrochloride
CID 119486880
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 119375343
N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
CID 100525119
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;hydrochloride
CID 162337803
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
[3-(aminomethyl)pyrrolidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 62063385
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide;hydrochloride
CID 119484922
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119483951
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride
CID 119381064

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride (CID 119484526) is N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(CN)C2)cc1.Cl.
What is the InChIKey of N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is DUTFHFGPYFJSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S.ClH/c1-26-15-6-8-16(9-7-15)27(24,25)21-18-5-3-2-4-17(18)19(23)22-11-10-14(12-20)13-22;/h2-9,14,21H,10-13,20H2,1H3;1H.
What are the key properties of N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride?
N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119484526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).