2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C19H24ClN3O4S — CID 119551446

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCNC2)cc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-22(14-11-12-20-13-14)19(23)17-5-3-4-6-18(17)21-27(24,25)16-9-7-15(26-2)8-10-16;/h3-10,14,20-21H,11-13H2,1-2H3;1H
InChIKeyVAEULTIXDYLVSY-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.35
Rot. Bonds6

About 2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119551446) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119551446
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCNC2)cc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-22(14-11-12-20-13-14)19(23)17-5-3-4-6-18(17)21-27(24,25)16-9-7-15(26-2)8-10-16;/h3-10,14,20-21H,11-13H2,1-2H3;1H
InChIKeyVAEULTIXDYLVSY-UHFFFAOYSA-N
XLogP2.35
TPSA87.74 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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119551846
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553054
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
2-benzamido-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552674
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 25497844
2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 119551826
N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 113093946
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride
CID 67156366
N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551107
N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613861

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119551446) is 2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCNC2)cc1.Cl.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is VAEULTIXDYLVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S.ClH/c1-22(14-11-12-20-13-14)19(23)17-5-3-4-6-18(17)21-27(24,25)16-9-7-15(26-2)8-10-16;/h3-10,14,20-21H,11-13H2,1-2H3;1H.
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119551446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).