1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide

C18H26FN5O2S — CID 16673861

IUPAC1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(c2ccc(F)cc2)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H26FN5O2S/c1-3-24-14-17(12-20-24)27(25,26)21-13-18(15-4-6-16(19)7-5-15)23-10-8-22(2)9-11-23/h4-7,12,14,18,21H,3,8-11,13H2,1-2H3
InChIKeyJDQHZFRJVOXNQZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP1.31
Rot. Bonds7

About 1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide

1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 16673861) has the molecular formula C18H26FN5O2S and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID16673861
Molecular FormulaC18H26FN5O2S
Molecular Weight395.50 g/mol
Exact Mass395.18
IUPAC Name1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(c2ccc(F)cc2)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H26FN5O2S/c1-3-24-14-17(12-20-24)27(25,26)21-13-18(15-4-6-16(19)7-5-15)23-10-8-22(2)9-11-23/h4-7,12,14,18,21H,3,8-11,13H2,1-2H3
InChIKeyJDQHZFRJVOXNQZ-UHFFFAOYSA-N
XLogP1.31
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
1-methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-pyrrolidin-3-yl)benzylamide
CID 56836106
1-Methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-1-methyl-pyrrolidin-3-yl)-benzylamide
CID 56836167
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[[3-[1-(azetidin-1-yl)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836904
1-(2-chloro-4-fluorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6465363
1-(3-chlorobenzyl)-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6467892
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
2-(1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 6468426
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide (CID 16673861) is 1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(c2ccc(F)cc2)N2CCN(C)CC2)cn1.
What is the InChIKey of 1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is JDQHZFRJVOXNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5O2S/c1-3-24-14-17(12-20-24)27(25,26)21-13-18(15-4-6-16(19)7-5-15)23-10-8-22(2)9-11-23/h4-7,12,14,18,21H,3,8-11,13H2,1-2H3.
What are the key properties of 1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide?
1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 395.50 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 16673861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).