1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride

C17H17Cl2FN4O2S — CID 67156863

IUPAC1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(F)cc1Cl)n1ccc2c(N3CCNCC3)nccc21
InChIInChI=1S/C17H16ClFN4O2S.ClH/c18-14-11-12(19)1-2-16(14)26(24,25)23-8-4-13-15(23)3-5-21-17(13)22-9-6-20-7-10-22;/h1-5,8,11,20H,6-7,9-10H2;1H
InChIKeyMNFGZQFCDOWICP-UHFFFAOYSA-N
MW431.32 g/mol
LogP2.90
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride

1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride (PubChem CID 67156863) has the molecular formula C17H17Cl2FN4O2S and a molecular weight of 431.32 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride
PubChem CID67156863
Molecular FormulaC17H17Cl2FN4O2S
Molecular Weight431.32 g/mol
Exact Mass430.04
IUPAC Name1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(F)cc1Cl)n1ccc2c(N3CCNCC3)nccc21
InChIInChI=1S/C17H16ClFN4O2S.ClH/c18-14-11-12(19)1-2-16(14)26(24,25)23-8-4-13-15(23)3-5-21-17(13)22-9-6-20-7-10-22;/h1-5,8,11,20H,6-7,9-10H2;1H
InChIKeyMNFGZQFCDOWICP-UHFFFAOYSA-N
XLogP2.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride (CID 67156863) is 1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride is Cl.O=S(=O)(c1ccc(F)cc1Cl)n1ccc2c(N3CCNCC3)nccc21.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride?
The InChIKey is MNFGZQFCDOWICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2S.ClH/c18-14-11-12(19)1-2-16(14)26(24,25)23-8-4-13-15(23)3-5-21-17(13)22-9-6-20-7-10-22;/h1-5,8,11,20H,6-7,9-10H2;1H.
What are the key properties of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride?
1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride has a molecular weight of 431.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 67156863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).