5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide

C24H30ClN5O3S — CID 25199176

IUPAC5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCCCCCNCCNC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN5O3S/c1-2-3-4-8-15-26-16-17-27-24(31)22-18-28-30(20-9-6-5-7-10-20)23(22)29-34(32,33)21-13-11-19(25)12-14-21/h5-7,9-14,18,26,29H,2-4,8,15-17H2,1H3,(H,27,31)
InChIKeyHYLHJGBEPNPARE-UHFFFAOYSA-N
MW504.06 g/mol
LogP4.23
Rot. Bonds13

About 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide

5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 25199176) has the molecular formula C24H30ClN5O3S and a molecular weight of 504.06 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID25199176
Molecular FormulaC24H30ClN5O3S
Molecular Weight504.06 g/mol
Exact Mass503.18
IUPAC Name5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCCCCCNCCNC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN5O3S/c1-2-3-4-8-15-26-16-17-27-24(31)22-18-28-30(20-9-6-5-7-10-20)23(22)29-34(32,33)21-13-11-19(25)12-14-21/h5-7,9-14,18,26,29H,2-4,8,15-17H2,1H3,(H,27,31)
InChIKeyHYLHJGBEPNPARE-UHFFFAOYSA-N
XLogP4.23
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.06
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide (CID 25199176) is 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide is CCCCCCNCCNC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is HYLHJGBEPNPARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3S/c1-2-3-4-8-15-26-16-17-27-24(31)22-18-28-30(20-9-6-5-7-10-20)23(22)29-34(32,33)21-13-11-19(25)12-14-21/h5-7,9-14,18,26,29H,2-4,8,15-17H2,1H3,(H,27,31).
What are the key properties of 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide?
5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 504.06 g/mol, XLogP of 4.23, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylamino]-N-[2-(hexylamino)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 25199176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).