N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide

C21H25ClN4O2S2 — CID 75580568

IUPACN-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide
SMILESCC(CN1CCN(Cc2cnc(Cl)s2)CC1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H25ClN4O2S2/c1-16(14-25-8-10-26(11-9-25)15-19-13-23-21(22)29-19)24-30(27,28)20-7-6-17-4-2-3-5-18(17)12-20/h2-7,12-13,16,24H,8-11,14-15H2,1H3
InChIKeyWLCKUAWUURSKFV-UHFFFAOYSA-N
MW465.04 g/mol
LogP3.43
Rot. Bonds7

About N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide

N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide (PubChem CID 75580568) has the molecular formula C21H25ClN4O2S2 and a molecular weight of 465.04 g/mol. Its IUPAC name is N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide
PubChem CID75580568
Molecular FormulaC21H25ClN4O2S2
Molecular Weight465.04 g/mol
Exact Mass464.11
IUPAC NameN-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide
SMILESCC(CN1CCN(Cc2cnc(Cl)s2)CC1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H25ClN4O2S2/c1-16(14-25-8-10-26(11-9-25)15-19-13-23-21(22)29-19)24-30(27,28)20-7-6-17-4-2-3-5-18(17)12-20/h2-7,12-13,16,24H,8-11,14-15H2,1H3
InChIKeyWLCKUAWUURSKFV-UHFFFAOYSA-N
XLogP3.43
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.04
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide
CID 50915001
N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide
CID 75579946
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide
CID 163796605
N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 124886214
3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 106611588
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
CID 24643512
N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide
CID 121176996
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-methylbenzenesulfonamide
CID 110284609
4-methyl-3-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 86969788
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 75434080

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide (CID 75580568) is N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide is CC(CN1CCN(Cc2cnc(Cl)s2)CC1)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is WLCKUAWUURSKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2S2/c1-16(14-25-8-10-26(11-9-25)15-19-13-23-21(22)29-19)24-30(27,28)20-7-6-17-4-2-3-5-18(17)12-20/h2-7,12-13,16,24H,8-11,14-15H2,1H3.
What are the key properties of N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide?
N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 465.04 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 75580568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).