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

C18H21N3O3S — CID 119735910

IUPAC3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
SMILESNc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C18H21N3O3S/c19-16-5-3-4-15(12-16)18(22)20-13-14-6-8-17(9-7-14)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13,19H2,(H,20,22)
InChIKeyFJJQPIABNQPHDR-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.98
Rot. Bonds5

About 3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide

3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide (PubChem CID 119735910) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
PubChem CID119735910
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
SMILESNc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C18H21N3O3S/c19-16-5-3-4-15(12-16)18(22)20-13-14-6-8-17(9-7-14)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13,19H2,(H,20,22)
InChIKeyFJJQPIABNQPHDR-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

3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736275
N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 46385970
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 108759301
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119944774
3-chloro-4-hydroxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18116541
3-piperidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052335
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide;hydrochloride
CID 119944773
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide (CID 119735910) is 3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide is Nc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of 3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The InChIKey is FJJQPIABNQPHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c19-16-5-3-4-15(12-16)18(22)20-13-14-6-8-17(9-7-14)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13,19H2,(H,20,22).
What are the key properties of 3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
3-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 3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 119735910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).