4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide

C18H20N4O2S2 — CID 171999825

IUPAC4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide
SMILESCc1cccc2sc(N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)nc12
InChIInChI=1S/C18H20N4O2S2/c1-13-3-2-4-16-17(13)20-18(25-16)22-11-9-21(10-12-22)14-5-7-15(8-6-14)26(19,23)24/h2-8H,9-12H2,1H3,(H2,19,23,24)
InChIKeySUFKOAUEQVLIJL-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.58
Rot. Bonds3

About 4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide

4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide (PubChem CID 171999825) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide
PubChem CID171999825
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide
SMILESCc1cccc2sc(N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)nc12
InChIInChI=1S/C18H20N4O2S2/c1-13-3-2-4-16-17(13)20-18(25-16)22-11-9-21(10-12-22)14-5-7-15(8-6-14)26(19,23)24/h2-8H,9-12H2,1H3,(H2,19,23,24)
InChIKeySUFKOAUEQVLIJL-UHFFFAOYSA-N
XLogP2.58
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941444
ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 167513068
2-(4-chlorophenyl)sulfonyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 41115912
2-methyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
CID 7539254
5,7-dimethyl-2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941446
2-(4-benzylpiperazin-1-yl)-4-methyl-1,3-benzothiazole
CID 90601922
1,3-benzothiazol-2-yl-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539237
4-bromo-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole
CID 7086365
2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
CID 16941442
(5-bromothiophen-2-yl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 41115816
(2-chloro-6-fluorophenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982384
2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 121081694

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide (CID 171999825) is 4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide is Cc1cccc2sc(N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)nc12.
What is the InChIKey of 4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is SUFKOAUEQVLIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-13-3-2-4-16-17(13)20-18(25-16)22-11-9-21(10-12-22)14-5-7-15(8-6-14)26(19,23)24/h2-8H,9-12H2,1H3,(H2,19,23,24).
What are the key properties of 4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide?
4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 388.52 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 171999825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).