3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid

C10H7Cl2N3O4S — CID 107049512

IUPAC3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1c(Cl)ccc(Cl)c1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H7Cl2N3O4S/c11-5-1-2-6(12)9(8(5)10(16)17)15-20(18,19)7-3-4-13-14-7/h1-4,15H,(H,13,14)(H,16,17)
InChIKeyIEUIVRAMZRPNRE-UHFFFAOYSA-N
MW336.16 g/mol
LogP2.22
Rot. Bonds4

About 3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid

3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid (PubChem CID 107049512) has the molecular formula C10H7Cl2N3O4S and a molecular weight of 336.16 g/mol. Its IUPAC name is 3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
PubChem CID107049512
Molecular FormulaC10H7Cl2N3O4S
Molecular Weight336.16 g/mol
Exact Mass334.95
IUPAC Name3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1c(Cl)ccc(Cl)c1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H7Cl2N3O4S/c11-5-1-2-6(12)9(8(5)10(16)17)15-20(18,19)7-3-4-13-14-7/h1-4,15H,(H,13,14)(H,16,17)
InChIKeyIEUIVRAMZRPNRE-UHFFFAOYSA-N
XLogP2.22
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
CID 102690908
4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692631
methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691733
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623
3,6-dichloro-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
CID 107049509
3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid
CID 102690657
N-(3-chloropyrazin-2-yl)-1H-pyrazole-5-sulfonamide
CID 102990020
N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide
CID 102692686
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
3-bromo-5-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
CID 102690909
3-[4-(1H-pyrazol-5-ylsulfonylamino)phenyl]butanoic acid
CID 102690958

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid?
The IUPAC name of 3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid (CID 107049512) is 3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid is O=C(O)c1c(Cl)ccc(Cl)c1NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid?
The InChIKey is IEUIVRAMZRPNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O4S/c11-5-1-2-6(12)9(8(5)10(16)17)15-20(18,19)7-3-4-13-14-7/h1-4,15H,(H,13,14)(H,16,17).
What are the key properties of 3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid?
3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid has a molecular weight of 336.16 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 107049512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).