methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate

C22H23N3O4S — CID 42284988

IUPACmethyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-29-22(26)17-11-13-18(14-12-17)24-30(27,28)20-15-25(19-9-5-6-10-19)23-21(20)16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24H,5-6,9-10H2,1H3
InChIKeyIJCVDNKFDHWYRB-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.25
Rot. Bonds6

About methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate

methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate (PubChem CID 42284988) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate
PubChem CID42284988
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Namemethyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-29-22(26)17-11-13-18(14-12-17)24-30(27,28)20-15-25(19-9-5-6-10-19)23-21(20)16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24H,5-6,9-10H2,1H3
InChIKeyIJCVDNKFDHWYRB-UHFFFAOYSA-N
XLogP4.25
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide
CID 42347151
ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282768
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42285003
3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
CID 42284183
1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide
CID 42346872
N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284178
N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide
CID 42346901
N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282754
methyl 4-[(2-aminophenyl)sulfonylamino]benzoate
CID 28590095
N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
CID 42282842
N-cyclohexyl-1-cyclopentyl-3-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42346917
3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide
CID 42284188

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate (CID 42284988) is methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate?
The InChIKey is IJCVDNKFDHWYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-29-22(26)17-11-13-18(14-12-17)24-30(27,28)20-15-25(19-9-5-6-10-19)23-21(20)16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24H,5-6,9-10H2,1H3.
What are the key properties of methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate?
methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate has a molecular weight of 425.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate is sourced from PubChem (CID 42284988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).