1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide

C23H20ClN3O5S — CID 42702704

IUPAC1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)C1CCCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C23H20ClN3O5S/c24-19-13-12-17(15-22(19)27(29)30)33(31,32)26-14-6-11-21(26)23(28)25-20-10-5-4-9-18(20)16-7-2-1-3-8-16/h1-5,7-10,12-13,15,21H,6,11,14H2,(H,25,28)
InChIKeyWCEZPHCHXJICLO-UHFFFAOYSA-N
MW485.95 g/mol
LogP4.71
Rot. Bonds6

About 1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide

1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide (PubChem CID 42702704) has the molecular formula C23H20ClN3O5S and a molecular weight of 485.95 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
PubChem CID42702704
Molecular FormulaC23H20ClN3O5S
Molecular Weight485.95 g/mol
Exact Mass485.08
IUPAC Name1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)C1CCCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C23H20ClN3O5S/c24-19-13-12-17(15-22(19)27(29)30)33(31,32)26-14-6-11-21(26)23(28)25-20-10-5-4-9-18(20)16-7-2-1-3-8-16/h1-5,7-10,12-13,15,21H,6,11,14H2,(H,25,28)
InChIKeyWCEZPHCHXJICLO-UHFFFAOYSA-N
XLogP4.71
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 54.71
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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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702705
(2R)-1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 10991265
1-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 132667301
(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 992693
1-(4-chlorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 16925178
2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727587
N-(4-acetamido-2-chlorophenyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 56580125
N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 60539560
(2S)-N-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40972131
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 84834429
(2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779328
(2R)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 40878885

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide (CID 42702704) is 1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1-c1ccccc1)C1CCCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is WCEZPHCHXJICLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O5S/c24-19-13-12-17(15-22(19)27(29)30)33(31,32)26-14-6-11-21(26)23(28)25-20-10-5-4-9-18(20)16-7-2-1-3-8-16/h1-5,7-10,12-13,15,21H,6,11,14H2,(H,25,28).
What are the key properties of 1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 485.95 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42702704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).