4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide

C23H32ClN5O3S — CID 55599229

IUPAC4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
SMILESCCc1c(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C23H32ClN5O3S/c1-3-22-21(17-25-29(22)20-11-7-8-18(24)16-20)23(30)27-12-14-28(15-13-27)33(31,32)26(2)19-9-5-4-6-10-19/h7-8,11,16-17,19H,3-6,9-10,12-15H2,1-2H3
InChIKeyINDHSMRBDRFWGD-UHFFFAOYSA-N
MW494.06 g/mol
LogP3.36
Rot. Bonds6

About 4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide

4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide (PubChem CID 55599229) has the molecular formula C23H32ClN5O3S and a molecular weight of 494.06 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
PubChem CID55599229
Molecular FormulaC23H32ClN5O3S
Molecular Weight494.06 g/mol
Exact Mass493.19
IUPAC Name4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
SMILESCCc1c(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C23H32ClN5O3S/c1-3-22-21(17-25-29(22)20-11-7-8-18(24)16-20)23(30)27-12-14-28(15-13-27)33(31,32)26(2)19-9-5-4-6-10-19/h7-8,11,16-17,19H,3-6,9-10,12-15H2,1-2H3
InChIKeyINDHSMRBDRFWGD-UHFFFAOYSA-N
XLogP3.36
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.06
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide (CID 55599229) is 4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide is CCc1c(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The InChIKey is INDHSMRBDRFWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN5O3S/c1-3-22-21(17-25-29(22)20-11-7-8-18(24)16-20)23(30)27-12-14-28(15-13-27)33(31,32)26(2)19-9-5-4-6-10-19/h7-8,11,16-17,19H,3-6,9-10,12-15H2,1-2H3.
What are the key properties of 4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide has a molecular weight of 494.06 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 55599229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).