5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide

C18H25ClFN5O2S — CID 134043695

IUPAC5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N(C)CCCC1CC(c2cccc(F)c2)NN1
InChIInChI=1S/C18H25ClFN5O2S/c1-12-17(18(19)25(3)23-12)28(26,27)24(2)9-5-8-15-11-16(22-21-15)13-6-4-7-14(20)10-13/h4,6-7,10,15-16,21-22H,5,8-9,11H2,1-3H3
InChIKeyYDWRBWQTJAHANP-UHFFFAOYSA-N
MW429.95 g/mol
LogP2.53
Rot. Bonds7

About 5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide

5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide (PubChem CID 134043695) has the molecular formula C18H25ClFN5O2S and a molecular weight of 429.95 g/mol. Its IUPAC name is 5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide
PubChem CID134043695
Molecular FormulaC18H25ClFN5O2S
Molecular Weight429.95 g/mol
Exact Mass429.14
IUPAC Name5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N(C)CCCC1CC(c2cccc(F)c2)NN1
InChIInChI=1S/C18H25ClFN5O2S/c1-12-17(18(19)25(3)23-12)28(26,27)24(2)9-5-8-15-11-16(22-21-15)13-6-4-7-14(20)10-13/h4,6-7,10,15-16,21-22H,5,8-9,11H2,1-3H3
InChIKeyYDWRBWQTJAHANP-UHFFFAOYSA-N
XLogP2.53
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202
4-(4-Chloro-3-fluorobenzyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72550886
4-(4-Chloro-2-fluorobenzyl)-4-fluoro-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72551106
4-(4-Chloro-2-fluorobenzyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72551107
4-(4-Chloro-2-fluorobenzylidene)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 86580704
US9656955, Example 486
CID 90406718
5-chloro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 4982535
N-[2-(2-Chlorophenyl)-2-(pyrrolidin-1-YL)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 46966777
N-{[1-(4-fluorophenyl)cyclopropyl]methyl}-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806169
5-chloro-1,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazole-4-sulfonamide
CID 3722896
1-[Bis(4-fluorophenyl)methyl]-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 3726838
[1-(3-Chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 103044302

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide (CID 134043695) is 5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)CCCC1CC(c2cccc(F)c2)NN1.
What is the InChIKey of 5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide?
The InChIKey is YDWRBWQTJAHANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClFN5O2S/c1-12-17(18(19)25(3)23-12)28(26,27)24(2)9-5-8-15-11-16(22-21-15)13-6-4-7-14(20)10-13/h4,6-7,10,15-16,21-22H,5,8-9,11H2,1-3H3.
What are the key properties of 5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide?
5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide has a molecular weight of 429.95 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 134043695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).