N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide

C22H20ClN3O4S2 — CID 46564070

IUPACN-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H20ClN3O4S2/c23-19-10-11-20(31-19)32(29,30)26-14-12-25(13-15-26)22(28)17-6-8-18(9-7-17)24-21(27)16-4-2-1-3-5-16/h1-11H,12-15H2,(H,24,27)
InChIKeyNLAHVLVNLBFVGO-UHFFFAOYSA-N
MW490.01 g/mol
LogP3.80
Rot. Bonds5

About N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide

N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide (PubChem CID 46564070) has the molecular formula C22H20ClN3O4S2 and a molecular weight of 490.01 g/mol. Its IUPAC name is N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
PubChem CID46564070
Molecular FormulaC22H20ClN3O4S2
Molecular Weight490.01 g/mol
Exact Mass489.06
IUPAC NameN-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H20ClN3O4S2/c23-19-10-11-20(31-19)32(29,30)26-14-12-25(13-15-26)22(28)17-6-8-18(9-7-17)24-21(27)16-4-2-1-3-5-16/h1-11H,12-15H2,(H,24,27)
InChIKeyNLAHVLVNLBFVGO-UHFFFAOYSA-N
XLogP3.80
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
CID 46536984
(2-anilinophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 27768627
[4-(aminomethyl)phenyl]-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 119268885
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 7944521
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805258
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 26679152
N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 60501808
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 20910818
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 2353026
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide (CID 46564070) is N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is NLAHVLVNLBFVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S2/c23-19-10-11-20(31-19)32(29,30)26-14-12-25(13-15-26)22(28)17-6-8-18(9-7-17)24-21(27)16-4-2-1-3-5-16/h1-11H,12-15H2,(H,24,27).
What are the key properties of N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide?
N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 490.01 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 46564070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).