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

C17H17Cl2FN4O2S — CID 10432882

IUPAC2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride
SMILESCl.O=S(=O)(c1cc2c(N3CCNCC3)nccc2[nH]1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H16ClFN4O2S.ClH/c18-13-9-11(19)1-2-15(13)26(24,25)16-10-12-14(22-16)3-4-21-17(12)23-7-5-20-6-8-23;/h1-4,9-10,20,22H,5-8H2;1H
InChIKeyKNMBFCYIJGZUGN-UHFFFAOYSA-N
MW431.32 g/mol
LogP3.02
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride (PubChem CID 10432882) has the molecular formula C17H17Cl2FN4O2S and a molecular weight of 431.32 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride
PubChem CID10432882
Molecular FormulaC17H17Cl2FN4O2S
Molecular Weight431.32 g/mol
Exact Mass430.04
IUPAC Name2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride
SMILESCl.O=S(=O)(c1cc2c(N3CCNCC3)nccc2[nH]1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H16ClFN4O2S.ClH/c18-13-9-11(19)1-2-15(13)26(24,25)16-10-12-14(22-16)3-4-21-17(12)23-7-5-20-6-8-23;/h1-4,9-10,20,22H,5-8H2;1H
InChIKeyKNMBFCYIJGZUGN-UHFFFAOYSA-N
XLogP3.02
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride with MolForge

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Related Compounds

1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride
CID 67156863
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine
CID 10383961
7-(4-chlorophenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline
CID 10388412
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966552
4-(1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)sulfonylthieno[3,2-c]pyridine;hydrochloride
CID 10412811
4-(2-chloro-4-fluorophenyl)sulfonylpiperidine
CID 170075092
2-[(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrimidine
CID 141328638
3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride
CID 10193970
4-piperazin-1-ylfuro[3,2-c]pyridine;dihydrochloride
CID 134830355
2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine;hydrochloride
CID 10324114
5-fluoro-2-piperazin-1-ylbenzenesulfonic acid
CID 86209670

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride (CID 10432882) is 2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride is Cl.O=S(=O)(c1cc2c(N3CCNCC3)nccc2[nH]1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride?
The InChIKey is KNMBFCYIJGZUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2S.ClH/c18-13-9-11(19)1-2-15(13)26(24,25)16-10-12-14(22-16)3-4-21-17(12)23-7-5-20-6-8-23;/h1-4,9-10,20,22H,5-8H2;1H.
What are the key properties of 2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride?
2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride has a molecular weight of 431.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 10432882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).