2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide

C18H21N3O3S — CID 119944774

IUPAC2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H21N3O3S/c19-17-6-2-1-5-16(17)18(22)20-13-14-7-9-15(10-8-14)25(23,24)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13,19H2,(H,20,22)
InChIKeyHCZISNIVPQWQTO-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.98
Rot. Bonds5

About 2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide

2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide (PubChem CID 119944774) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
PubChem CID119944774
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H21N3O3S/c19-17-6-2-1-5-16(17)18(22)20-13-14-7-9-15(10-8-14)25(23,24)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13,19H2,(H,20,22)
InChIKeyHCZISNIVPQWQTO-UHFFFAOYSA-N
XLogP1.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide;hydrochloride
CID 119944773
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide
CID 17457202
2-chloro-N-[1-oxo-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]propan-2-yl]benzamide
CID 55868135
2-chloro-6-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736211
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
2-amino-2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 119272019
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 119296233
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide (CID 119944774) is 2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide is Nc1ccccc1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The InChIKey is HCZISNIVPQWQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c19-17-6-2-1-5-16(17)18(22)20-13-14-7-9-15(10-8-14)25(23,24)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13,19H2,(H,20,22).
What are the key properties of 2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide has a molecular weight of 359.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 119944774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).