N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide

C23H26ClFN4O3S — CID 90919643

IUPACN-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C23H26ClFN4O3S/c1-2-33(31,32)26-9-10-29-16-19(18-8-7-17(24)15-22(18)29)23(30)28-13-11-27(12-14-28)21-6-4-3-5-20(21)25/h3-8,15-16,26H,2,9-14H2,1H3
InChIKeyCFQLWOVABWPJEQ-UHFFFAOYSA-N
MW493.00 g/mol
LogP3.34
Rot. Bonds7

About N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide

N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide (PubChem CID 90919643) has the molecular formula C23H26ClFN4O3S and a molecular weight of 493.00 g/mol. Its IUPAC name is N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide
PubChem CID90919643
Molecular FormulaC23H26ClFN4O3S
Molecular Weight493.00 g/mol
Exact Mass492.14
IUPAC NameN-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C23H26ClFN4O3S/c1-2-33(31,32)26-9-10-29-16-19(18-8-7-17(24)15-22(18)29)23(30)28-13-11-27(12-14-28)21-6-4-3-5-20(21)25/h3-8,15-16,26H,2,9-14H2,1H3
InChIKeyCFQLWOVABWPJEQ-UHFFFAOYSA-N
XLogP3.34
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.00
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2S)-2-aminopropyl]-6-chloroindol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 46898555
[6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 56839963
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one
CID 174598420
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 60510749
[4-(benzotriazol-1-yl)piperidin-1-yl]-[6-chloro-1-[2-(methylamino)ethyl]indol-3-yl]methanone
CID 25001182
2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
CID 59429679
N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide
CID 59429610
1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113213107
N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 46770608
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
1,5-bis[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]-2,4-bis(4-methylpiperazin-1-yl)pentan-3-one
CID 174548474

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide (CID 90919643) is N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccc(Cl)cc21.
What is the InChIKey of N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide?
The InChIKey is CFQLWOVABWPJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O3S/c1-2-33(31,32)26-9-10-29-16-19(18-8-7-17(24)15-22(18)29)23(30)28-13-11-27(12-14-28)21-6-4-3-5-20(21)25/h3-8,15-16,26H,2,9-14H2,1H3.
What are the key properties of N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide?
N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide has a molecular weight of 493.00 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 90919643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).