1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide

C22H25ClN4O3S — CID 25134985

IUPAC1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H25ClN4O3S/c1-22(2,3)16-6-9-18(10-7-16)31(29,30)25-19-11-8-17(23)12-20(19)27-14-15(13-24-27)21(28)26(4)5/h6-14,25H,1-5H3
InChIKeyACCIQNFORQKTFX-UHFFFAOYSA-N
MW460.99 g/mol
LogP4.33
Rot. Bonds5

About 1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide

1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide (PubChem CID 25134985) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is 1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide
PubChem CID25134985
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC Name1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H25ClN4O3S/c1-22(2,3)16-6-9-18(10-7-16)31(29,30)25-19-11-8-17(23)12-20(19)27-14-15(13-24-27)21(28)26(4)5/h6-14,25H,1-5H3
InChIKeyACCIQNFORQKTFX-UHFFFAOYSA-N
XLogP4.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide (CID 25134985) is 1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide is CN(C)C(=O)c1cnn(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide?
The InChIKey is ACCIQNFORQKTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-22(2,3)16-6-9-18(10-7-16)31(29,30)25-19-11-8-17(23)12-20(19)27-14-15(13-24-27)21(28)26(4)5/h6-14,25H,1-5H3.
What are the key properties of 1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide?
1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide has a molecular weight of 460.99 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 25134985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).