4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline

C16H15ClN4O2S2 — CID 17455164

IUPAC4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C16H15ClN4O2S2/c17-14-5-6-15(24-14)25(22,23)21-9-7-20(8-10-21)16-12-3-1-2-4-13(12)18-11-19-16/h1-6,11H,7-10H2
InChIKeyNHKHDCRFAIREQB-UHFFFAOYSA-N
MW394.91 g/mol
LogP2.86
Rot. Bonds3

About 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline

4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline (PubChem CID 17455164) has the molecular formula C16H15ClN4O2S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline
PubChem CID17455164
Molecular FormulaC16H15ClN4O2S2
Molecular Weight394.91 g/mol
Exact Mass394.03
IUPAC Name4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C16H15ClN4O2S2/c17-14-5-6-15(24-14)25(22,23)21-9-7-20(8-10-21)16-12-3-1-2-4-13(12)18-11-19-16/h1-6,11H,7-10H2
InChIKeyNHKHDCRFAIREQB-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline (CID 17455164) is 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline is O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline?
The InChIKey is NHKHDCRFAIREQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S2/c17-14-5-6-15(24-14)25(22,23)21-9-7-20(8-10-21)16-12-3-1-2-4-13(12)18-11-19-16/h1-6,11H,7-10H2.
What are the key properties of 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline?
4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline has a molecular weight of 394.91 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]quinazoline is sourced from PubChem (CID 17455164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).