3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine

C15H14ClN3O2S2 — CID 23625763

IUPAC3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(Cl)s1)c1cn(C2CCNC2)c2ncccc12
InChIInChI=1S/C15H14ClN3O2S2/c16-13-3-4-14(22-13)23(20,21)12-9-19(10-5-7-17-8-10)15-11(12)2-1-6-18-15/h1-4,6,9-10,17H,5,7-8H2
InChIKeyMRPLGTPQSAURRZ-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.12
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine

3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine (PubChem CID 23625763) has the molecular formula C15H14ClN3O2S2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine
PubChem CID23625763
Molecular FormulaC15H14ClN3O2S2
Molecular Weight367.88 g/mol
Exact Mass367.02
IUPAC Name3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(Cl)s1)c1cn(C2CCNC2)c2ncccc12
InChIInChI=1S/C15H14ClN3O2S2/c16-13-3-4-14(22-13)23(20,21)12-9-19(10-5-7-17-8-10)15-11(12)2-1-6-18-15/h1-4,6,9-10,17H,5,7-8H2
InChIKeyMRPLGTPQSAURRZ-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 9950255
6-Chloro-5-(1-piperidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 9979611
6-Chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433193
6-Chloro-5-[1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433194
6-Chloro-5-(1-piperidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433196
3-(5-chloro-thiophene-2-sulfonyl)-1-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 44435625
2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N-methylethanamine
CID 45484340
6-Chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 52946845
N-(2-{3-[(3-chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N,N-dimethylamine
CID 10067306
2-[3-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl]ethylamine
CID 10380133
2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethylamine
CID 10472158
5-chloro-N-((7-methylimidazo[1,2-a]pyridin-2-yl)methyl)thiophene-2-sulfonamide
CID 5310570

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine (CID 23625763) is 3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine is O=S(=O)(c1ccc(Cl)s1)c1cn(C2CCNC2)c2ncccc12.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine?
The InChIKey is MRPLGTPQSAURRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S2/c16-13-3-4-14(22-13)23(20,21)12-9-19(10-5-7-17-8-10)15-11(12)2-1-6-18-15/h1-4,6,9-10,17H,5,7-8H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine?
3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine has a molecular weight of 367.88 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 23625763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).