N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride

C23H35ClN4O2S — CID 141290503

IUPACN-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cn2)C[C@@H]1CC.Cl
InChIInChI=1S/C23H34N4O2S.ClH/c1-5-13-26-14-15-27(17-21(26)6-2)23-12-9-20(16-24-23)25-30(28,29)22-10-7-19(8-11-22)18(3)4;/h7-12,16,18,21,25H,5-6,13-15,17H2,1-4H3;1H/t21-;/m0./s1
InChIKeyRUXPUDPJGMTVHX-BOXHHOBZSA-N
MW467.08 g/mol
LogP4.74
Rot. Bonds8

About N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride

N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 141290503) has the molecular formula C23H35ClN4O2S and a molecular weight of 467.08 g/mol. Its IUPAC name is N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID141290503
Molecular FormulaC23H35ClN4O2S
Molecular Weight467.08 g/mol
Exact Mass466.22
IUPAC NameN-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cn2)C[C@@H]1CC.Cl
InChIInChI=1S/C23H34N4O2S.ClH/c1-5-13-26-14-15-27(17-21(26)6-2)23-12-9-20(16-24-23)25-30(28,29)22-10-7-19(8-11-22)18(3)4;/h7-12,16,18,21,25H,5-6,13-15,17H2,1-4H3;1H/t21-;/m0./s1
InChIKeyRUXPUDPJGMTVHX-BOXHHOBZSA-N
XLogP4.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.08
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[(3S)-3-methyl-4-prop-2-enylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 69146506
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490
4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
CID 46054096
4-ethyl-N-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide;hydrochloride
CID 69172168
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352
4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride
CID 69243399
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113015711
4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011184
4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide
CID 68912534
4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011203
5-[(4-propan-2-ylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)benzoic acid
CID 50766170
N-[6-(azepan-1-yl)-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113015975

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride (CID 141290503) is N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride is CCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cn2)C[C@@H]1CC.Cl.
What is the InChIKey of N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is RUXPUDPJGMTVHX-BOXHHOBZSA-N. The full InChI is InChI=1S/C23H34N4O2S.ClH/c1-5-13-26-14-15-27(17-21(26)6-2)23-12-9-20(16-24-23)25-30(28,29)22-10-7-19(8-11-22)18(3)4;/h7-12,16,18,21,25H,5-6,13-15,17H2,1-4H3;1H/t21-;/m0./s1.
What are the key properties of N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride?
N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 467.08 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 141290503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).