7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine

C20H15ClF6N4O2S — CID 3758897

IUPAC7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)CC1
InChIInChI=1S/C20H15ClF6N4O2S/c21-12-1-3-13(4-2-12)34(32,33)31-9-7-30(8-10-31)17-6-5-14-15(19(22,23)24)11-16(20(25,26)27)28-18(14)29-17/h1-6,11H,7-10H2
InChIKeyLLVWIWAZQUEILN-UHFFFAOYSA-N
MW524.87 g/mol
LogP4.83
Rot. Bonds3

About 7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine

7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine (PubChem CID 3758897) has the molecular formula C20H15ClF6N4O2S and a molecular weight of 524.87 g/mol. Its IUPAC name is 7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
PubChem CID3758897
Molecular FormulaC20H15ClF6N4O2S
Molecular Weight524.87 g/mol
Exact Mass524.05
IUPAC Name7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)CC1
InChIInChI=1S/C20H15ClF6N4O2S/c21-12-1-3-13(4-2-12)34(32,33)31-9-7-30(8-10-31)17-6-5-14-15(19(22,23)24)11-16(20(25,26)27)28-18(14)29-17/h1-6,11H,7-10H2
InChIKeyLLVWIWAZQUEILN-UHFFFAOYSA-N
XLogP4.83
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.87
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
CID 2809145
7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline
CID 46133835
3-chloro-6-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 56584208
1-(3-chloro-4-fluorophenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 24506534
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline
CID 33370889
[6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]boronic acid
CID 71463927
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline
CID 2822622
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2462968
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474150
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16937573
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine (CID 3758897) is 7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)CC1.
What is the InChIKey of 7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is LLVWIWAZQUEILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF6N4O2S/c21-12-1-3-13(4-2-12)34(32,33)31-9-7-30(8-10-31)17-6-5-14-15(19(22,23)24)11-16(20(25,26)27)28-18(14)29-17/h1-6,11H,7-10H2.
What are the key properties of 7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 524.87 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 3758897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).