4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide

C13H14Cl2N4O3S — CID 69379969

IUPAC4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]ncc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2N4O3S/c1-7(2)17-13(20)12-10(6-16-18-12)19-23(21,22)11-5-8(14)3-4-9(11)15/h3-7,19H,1-2H3,(H,16,18)(H,17,20)
InChIKeyJHUVZXHDBCHADA-UHFFFAOYSA-N
MW377.25 g/mol
LogP2.66
Rot. Bonds5

About 4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide

4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 69379969) has the molecular formula C13H14Cl2N4O3S and a molecular weight of 377.25 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID69379969
Molecular FormulaC13H14Cl2N4O3S
Molecular Weight377.25 g/mol
Exact Mass376.02
IUPAC Name4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]ncc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2N4O3S/c1-7(2)17-13(20)12-10(6-16-18-12)19-23(21,22)11-5-8(14)3-4-9(11)15/h3-7,19H,1-2H3,(H,16,18)(H,17,20)
InChIKeyJHUVZXHDBCHADA-UHFFFAOYSA-N
XLogP2.66
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dichlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 69379894
N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 69379957
N-propan-2-yl-4-(quinolin-8-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 69380952
methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 122187079
2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide
CID 79503678
2,5-dichloro-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide
CID 4769211
4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000948
methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303998
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 69379969) is 4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide is CC(C)NC(=O)c1[nH]ncc1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is JHUVZXHDBCHADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O3S/c1-7(2)17-13(20)12-10(6-16-18-12)19-23(21,22)11-5-8(14)3-4-9(11)15/h3-7,19H,1-2H3,(H,16,18)(H,17,20).
What are the key properties of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 377.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69379969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).