N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide

C23H24N4O2S2 — CID 66801229

IUPACN-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N4O2S2/c28-31(29,20-10-9-18-5-1-2-6-19(18)17-20)24-11-12-26-13-15-27(16-14-26)23-21-7-3-4-8-22(21)30-25-23/h1-10,17,24H,11-16H2
InChIKeyMRQHTSWENGWSMD-UHFFFAOYSA-N
MW452.61 g/mol
LogP3.55
Rot. Bonds6

About N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide

N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide (PubChem CID 66801229) has the molecular formula C23H24N4O2S2 and a molecular weight of 452.61 g/mol. Its IUPAC name is N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide
PubChem CID66801229
Molecular FormulaC23H24N4O2S2
Molecular Weight452.61 g/mol
Exact Mass452.13
IUPAC NameN-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N4O2S2/c28-31(29,20-10-9-18-5-1-2-6-19(18)17-20)24-11-12-26-13-15-27(16-14-26)23-21-7-3-4-8-22(21)30-25-23/h1-10,17,24H,11-16H2
InChIKeyMRQHTSWENGWSMD-UHFFFAOYSA-N
XLogP3.55
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.61
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{3-[4-(1,2-Benzisothiazole-3-yl)-1-piperazinyl]propyl}naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 15710737
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]naphthalene-2-sulfonamide
CID 56944564
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-methylbenzenesulfonamide
CID 56944565
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]methanesulfonamide
CID 72699528
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide
CID 72699690
trans-4-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)cyclohexylamine
CID 90213677
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propane-1-sulfonamide
CID 134139510
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-6-chloronaphthalene-2-sulfonamide
CID 56945045
N-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloronaphthalene-2-sulfonamide
CID 56945046
N-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
CID 66800939
N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 66800942
N-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-1-benzothiophene-2-sulfonamide
CID 66801000

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide (CID 66801229) is N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide is O=S(=O)(NCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The InChIKey is MRQHTSWENGWSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S2/c28-31(29,20-10-9-18-5-1-2-6-19(18)17-20)24-11-12-26-13-15-27(16-14-26)23-21-7-3-4-8-22(21)30-25-23/h1-10,17,24H,11-16H2.
What are the key properties of N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide?
N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide has a molecular weight of 452.61 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 66801229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).