3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine

C20H23ClN4O2S — CID 53174138

IUPAC3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine
SMILESCCCn1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c2cccnc21
InChIInChI=1S/C20H23ClN4O2S/c1-2-10-24-15-19(16-6-5-9-22-20(16)24)28(26,27)25-13-11-23(12-14-25)18-8-4-3-7-17(18)21/h3-9,15H,2,10-14H2,1H3
InChIKeyYWBBBGHAXACWKA-UHFFFAOYSA-N
MW418.95 g/mol
LogP3.61
Rot. Bonds5

About 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine

3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine (PubChem CID 53174138) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine
PubChem CID53174138
Molecular FormulaC20H23ClN4O2S
Molecular Weight418.95 g/mol
Exact Mass418.12
IUPAC Name3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine
SMILESCCCn1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c2cccnc21
InChIInChI=1S/C20H23ClN4O2S/c1-2-10-24-15-19(16-6-5-9-22-20(16)24)28(26,27)25-13-11-23(12-14-25)18-8-4-3-7-17(18)21/h3-9,15H,2,10-14H2,1H3
InChIKeyYWBBBGHAXACWKA-UHFFFAOYSA-N
XLogP3.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine
CID 68550970
N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174112
4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine
CID 53174187
2-(3-pentylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 68853215
1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 91669823
1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 1296699
1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine
CID 68555914
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 35326952
3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
CID 71840198
1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174135
N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174101
N-(2-chlorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174190

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine (CID 53174138) is 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine is CCCn1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c2cccnc21.
What is the InChIKey of 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine?
The InChIKey is YWBBBGHAXACWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2S/c1-2-10-24-15-19(16-6-5-9-22-20(16)24)28(26,27)25-13-11-23(12-14-25)18-8-4-3-7-17(18)21/h3-9,15H,2,10-14H2,1H3.
What are the key properties of 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine?
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine has a molecular weight of 418.95 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 53174138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).