4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide

C15H11BrClN3O2S — CID 60532143

IUPAC4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cccn1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H11BrClN3O2S/c16-11-6-7-15(12(17)10-11)23(21,22)19-13-4-1-2-5-14(13)20-9-3-8-18-20/h1-10,19H
InChIKeyUQOFKDMVMKEXFW-UHFFFAOYSA-N
MW412.70 g/mol
LogP4.09
Rot. Bonds4

About 4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide

4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide (PubChem CID 60532143) has the molecular formula C15H11BrClN3O2S and a molecular weight of 412.70 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
PubChem CID60532143
Molecular FormulaC15H11BrClN3O2S
Molecular Weight412.70 g/mol
Exact Mass410.94
IUPAC Name4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cccn1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H11BrClN3O2S/c16-11-6-7-15(12(17)10-11)23(21,22)19-13-4-1-2-5-14(13)20-9-3-8-18-20/h1-10,19H
InChIKeyUQOFKDMVMKEXFW-UHFFFAOYSA-N
XLogP4.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.70
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 55895336
4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide
CID 65031150
4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide
CID 7939182
2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532169
N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 47062887
N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55895716
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367970
4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856694
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63062265
2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 47034188

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide (CID 60532143) is 4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1-n1cccn1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is UQOFKDMVMKEXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O2S/c16-11-6-7-15(12(17)10-11)23(21,22)19-13-4-1-2-5-14(13)20-9-3-8-18-20/h1-10,19H.
What are the key properties of 4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 412.70 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 60532143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).