4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride

C44H52ClF2N7O6S2 — CID 161199208

IUPAC4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride
SMILESC[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Cl)cc2)CC1)N1CCCc2cc(F)ccc21.C[C@H](C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)N1CCCc2cc(F)ccc21
InChIInChI=1S/C22H25ClFN3O3S.C22H27FN4O3S/c1-16(27-10-2-3-17-15-18(24)4-9-21(17)27)22(28)26-13-11-25(12-14-26)19-5-7-20(8-6-19)31(23,29)30;1-16(27-10-2-3-17-15-18(23)4-9-21(17)27)22(28)26-13-11-25(12-14-26)19-5-7-20(8-6-19)31(24,29)30/h4-9,15-16H,2-3,10-14H2,1H3;4-9,15-16H,2-3,10-14H2,1H3,(H2,24,29,30)/t2*16-/m11/s1
InChIKeyUUTGGDFTDPTZTI-RWVWGXEFSA-N
MW912.53 g/mol
LogP5.21
Rot. Bonds8

About 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride

4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride (PubChem CID 161199208) has the molecular formula C44H52ClF2N7O6S2 and a molecular weight of 912.53 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride
PubChem CID161199208
Molecular FormulaC44H52ClF2N7O6S2
Molecular Weight912.53 g/mol
Exact Mass911.31
IUPAC Name4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride
SMILESC[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Cl)cc2)CC1)N1CCCc2cc(F)ccc21.C[C@H](C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)N1CCCc2cc(F)ccc21
InChIInChI=1S/C22H25ClFN3O3S.C22H27FN4O3S/c1-16(27-10-2-3-17-15-18(24)4-9-21(17)27)22(28)26-13-11-25(12-14-26)19-5-7-20(8-6-19)31(23,29)30;1-16(27-10-2-3-17-15-18(23)4-9-21(17)27)22(28)26-13-11-25(12-14-26)19-5-7-20(8-6-19)31(24,29)30/h4-9,15-16H,2-3,10-14H2,1H3;4-9,15-16H,2-3,10-14H2,1H3,(H2,24,29,30)/t2*16-/m11/s1
InChIKeyUUTGGDFTDPTZTI-RWVWGXEFSA-N
XLogP5.21
TPSA147.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride with MolForge

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Related Compounds

4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;methyl N-[4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]phenyl]sulfonylcarbamate
CID 161493900
2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 68738267
1-(aminomethylidene)-3-[4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]phenyl]sulfonylthiourea
CID 90893888
4-[4-[(2S)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide
CID 67476919
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide
CID 59465699
4-[4-[(2S)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 160910749
N-[4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]phenyl]sulfonyl-3-iminobutanamide
CID 91563289
4-[4-[(2S)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methoxypyridazin-3-yl)benzenesulfonamide;molecular hydrogen
CID 159044978
[N'-[4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]phenyl]sulfonylcarbamimidoyl] ethanimidothioate
CID 90905383
4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-pyridazin-3-ylbenzenesulfonamide
CID 58215245
4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 59466203
4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 58215076

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride?
The IUPAC name of 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride (CID 161199208) is 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride?
The canonical SMILES for 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride is C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Cl)cc2)CC1)N1CCCc2cc(F)ccc21.C[C@H](C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)N1CCCc2cc(F)ccc21.
What is the InChIKey of 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride?
The InChIKey is UUTGGDFTDPTZTI-RWVWGXEFSA-N. The full InChI is InChI=1S/C22H25ClFN3O3S.C22H27FN4O3S/c1-16(27-10-2-3-17-15-18(24)4-9-21(17)27)22(28)26-13-11-25(12-14-26)19-5-7-20(8-6-19)31(23,29)30;1-16(27-10-2-3-17-15-18(23)4-9-21(17)27)22(28)26-13-11-25(12-14-26)19-5-7-20(8-6-19)31(24,29)30/h4-9,15-16H,2-3,10-14H2,1H3;4-9,15-16H,2-3,10-14H2,1H3,(H2,24,29,30)/t2*16-/m11/s1.
What are the key properties of 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride?
4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride has a molecular weight of 912.53 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride is sourced from PubChem (CID 161199208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).