2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile

C16H14ClN3O2S — CID 94025265

IUPAC2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1Cl
InChIInChI=1S/C16H14ClN3O2S/c17-15-10-14(4-3-13(15)11-18)23(21,22)20-9-1-2-16(20)12-5-7-19-8-6-12/h3-8,10,16H,1-2,9H2/t16-/m1/s1
InChIKeyUYEHGRVFSBVDPO-MRXNPFEDSA-N
MW347.83 g/mol
LogP3.13
Rot. Bonds3

About 2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile

2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile (PubChem CID 94025265) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile
PubChem CID94025265
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1Cl
InChIInChI=1S/C16H14ClN3O2S/c17-15-10-14(4-3-13(15)11-18)23(21,22)20-9-1-2-16(20)12-5-7-19-8-6-12/h3-8,10,16H,1-2,9H2/t16-/m1/s1
InChIKeyUYEHGRVFSBVDPO-MRXNPFEDSA-N
XLogP3.13
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3-chloro-4-cyanophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862708
4-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]pyridine
CID 25361203
4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline
CID 43577800
4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110871642
2-chloro-4-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 124604581
4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 60727492
5-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110871668
4-[1-(4-methoxy-3-nitrophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 47021589
2-chloro-4-(2-ethylazepan-1-yl)sulfonylbenzonitrile
CID 115642626
methyl 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate
CID 42943935
4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 94162249
4-chloro-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 55627831

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile (CID 94025265) is 2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile is N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile?
The InChIKey is UYEHGRVFSBVDPO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-15-10-14(4-3-13(15)11-18)23(21,22)20-9-1-2-16(20)12-5-7-19-8-6-12/h3-8,10,16H,1-2,9H2/t16-/m1/s1.
What are the key properties of 2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile?
2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile has a molecular weight of 347.83 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 94025265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).