4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid

C17H15N3O5S — CID 166198354

IUPAC4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H15N3O5S/c1-25-13-7-8-15(17(21)22)16(9-13)19-26(23,24)14-10-18-20(11-14)12-5-3-2-4-6-12/h2-11,19H,1H3,(H,21,22)
InChIKeyTWZDIILMPIIDGQ-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.38
Rot. Bonds6

About 4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid

4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid (PubChem CID 166198354) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is 4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid
PubChem CID166198354
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Name4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H15N3O5S/c1-25-13-7-8-15(17(21)22)16(9-13)19-26(23,24)14-10-18-20(11-14)12-5-3-2-4-6-12/h2-11,19H,1H3,(H,21,22)
InChIKeyTWZDIILMPIIDGQ-UHFFFAOYSA-N
XLogP2.38
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid
CID 138041129
4-[[1-(4-cyclohexylphenyl)pyrazol-4-yl]sulfonylamino]-2-fluoro-5-methoxybenzoic acid
CID 168726532
N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 51093676
2-(tert-butylsulfonylamino)-4-methoxybenzoic acid
CID 113303117
2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid
CID 68866362
2-(cyanomethylsulfonylamino)-4-methoxybenzoic acid
CID 115411259
1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 75426525
2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid
CID 78920269
N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide
CID 75522425
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 61406079
methyl 2-[[1-(4-chlorophenyl)pyrazol-4-yl]sulfonylamino]-5-nitrobenzoate
CID 170354273

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid (CID 166198354) is 4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid is COc1ccc(C(=O)O)c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid?
The InChIKey is TWZDIILMPIIDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-25-13-7-8-15(17(21)22)16(9-13)19-26(23,24)14-10-18-20(11-14)12-5-3-2-4-6-12/h2-11,19H,1H3,(H,21,22).
What are the key properties of 4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid?
4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid has a molecular weight of 373.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 166198354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).