1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide

C10H9Cl2N3O2S — CID 81340006

IUPAC1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C10H9Cl2N3O2S/c11-8-1-2-10(12)7(3-8)5-15-6-9(4-14-15)18(13,16)17/h1-4,6H,5H2,(H2,13,16,17)
InChIKeyFALCQVUDPBEHPH-UHFFFAOYSA-N
MW306.17 g/mol
LogP1.89
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide

1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 81340006) has the molecular formula C10H9Cl2N3O2S and a molecular weight of 306.17 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide
PubChem CID81340006
Molecular FormulaC10H9Cl2N3O2S
Molecular Weight306.17 g/mol
Exact Mass304.98
IUPAC Name1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C10H9Cl2N3O2S/c11-8-1-2-10(12)7(3-8)5-15-6-9(4-14-15)18(13,16)17/h1-4,6H,5H2,(H2,13,16,17)
InChIKeyFALCQVUDPBEHPH-UHFFFAOYSA-N
XLogP1.89
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide (CID 81340006) is 1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(Cc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is FALCQVUDPBEHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O2S/c11-8-1-2-10(12)7(3-8)5-15-6-9(4-14-15)18(13,16)17/h1-4,6H,5H2,(H2,13,16,17).
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide?
1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 306.17 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 81340006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).