(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide

C17H17N5O3S — CID 8779584

IUPAC(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nn1cnnc1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H17N5O3S/c23-17(20-21-11-18-19-12-21)16-6-3-9-22(16)26(24,25)15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10-12,16H,3,6,9H2,(H,20,23)/t16-/m1/s1
InChIKeyAZVFZJIZPKGLQP-MRXNPFEDSA-N
MW371.42 g/mol
LogP1.35
Rot. Bonds4

About (2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide

(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 8779584) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is (2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID8779584
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nn1cnnc1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H17N5O3S/c23-17(20-21-11-18-19-12-21)16-6-3-9-22(16)26(24,25)15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10-12,16H,3,6,9H2,(H,20,23)/t16-/m1/s1
InChIKeyAZVFZJIZPKGLQP-MRXNPFEDSA-N
XLogP1.35
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide 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

(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42696103
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779300
dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium
CID 8779487
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone
CID 8779612
(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 8779523
(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8779741
(2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779328

Frequently Asked Questions

What is the IUPAC name of (2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide (CID 8779584) is (2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide is O=C(Nn1cnnc1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is AZVFZJIZPKGLQP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17N5O3S/c23-17(20-21-11-18-19-12-21)16-6-3-9-22(16)26(24,25)15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10-12,16H,3,6,9H2,(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 8779584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).