3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide

C20H20N4O3S2 — CID 2117884

IUPAC3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H20N4O3S2/c25-19(22-20-21-9-14-28-20)16-5-4-8-18(15-16)29(26,27)24-12-10-23(11-13-24)17-6-2-1-3-7-17/h1-9,14-15H,10-13H2,(H,21,22,25)
InChIKeyLGOOPNRCFUZDHI-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.91
Rot. Bonds5

About 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide

3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2117884) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2117884
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H20N4O3S2/c25-19(22-20-21-9-14-28-20)16-5-4-8-18(15-16)29(26,27)24-12-10-23(11-13-24)17-6-2-1-3-7-17/h1-9,14-15H,10-13H2,(H,21,22,25)
InChIKeyLGOOPNRCFUZDHI-UHFFFAOYSA-N
XLogP2.91
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2679186
3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 31527634
1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone
CID 110824781
3-(cyclopentylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 166188646
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
3-(4-methylpiperazin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 7999194
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 24979011
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25337299
3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1101754
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 8762849

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 2117884) is 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is LGOOPNRCFUZDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c25-19(22-20-21-9-14-28-20)16-5-4-8-18(15-16)29(26,27)24-12-10-23(11-13-24)17-6-2-1-3-7-17/h1-9,14-15H,10-13H2,(H,21,22,25).
What are the key properties of 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 428.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2117884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).