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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Related Compounds

5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
ethyl 5-[(4-methoxyphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
CID 5065328
N-[2-(benzenesulfonamido)ethyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 78851722
5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 2298695
N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55946238
N-cyclohexyl-N-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392872
N-(2-benzamidoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31839795
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
1-(4-chlorophenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55693629
5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
CID 60545454
1-(4-chlorophenyl)sulfonyl-3-hexylurea
CID 119056344

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).