2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C18H19N3O5S — CID 1309461

IUPAC2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H19N3O5S/c22-18(13-14-5-1-2-6-17(14)21(23)24)19-15-7-9-16(10-8-15)27(25,26)20-11-3-4-12-20/h1-2,5-10H,3-4,11-13H2,(H,19,22)
InChIKeyPUMQPCMJVVUKDY-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.56
Rot. Bonds6

About 2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1309461) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID1309461
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H19N3O5S/c22-18(13-14-5-1-2-6-17(14)21(23)24)19-15-7-9-16(10-8-15)27(25,26)20-11-3-4-12-20/h1-2,5-10H,3-4,11-13H2,(H,19,22)
InChIKeyPUMQPCMJVVUKDY-UHFFFAOYSA-N
XLogP2.56
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 1309461) is 2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is PUMQPCMJVVUKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c22-18(13-14-5-1-2-6-17(14)21(23)24)19-15-7-9-16(10-8-15)27(25,26)20-11-3-4-12-20/h1-2,5-10H,3-4,11-13H2,(H,19,22).
What are the key properties of 2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1309461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).