2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C11H8BrClN4O2S — CID 100668364

IUPAC2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2cc(Cl)ccc2Br)c1C#N
InChIInChI=1S/C11H8BrClN4O2S/c1-6-8(5-14)11(16-15-6)17-20(18,19)10-4-7(13)2-3-9(10)12/h2-4H,1H3,(H2,15,16,17)
InChIKeyHWIKVDNPTUQQBQ-UHFFFAOYSA-N
MW375.64 g/mol
LogP2.81
Rot. Bonds3

About 2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 100668364) has the molecular formula C11H8BrClN4O2S and a molecular weight of 375.64 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID100668364
Molecular FormulaC11H8BrClN4O2S
Molecular Weight375.64 g/mol
Exact Mass373.92
IUPAC Name2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2cc(Cl)ccc2Br)c1C#N
InChIInChI=1S/C11H8BrClN4O2S/c1-6-8(5-14)11(16-15-6)17-20(18,19)10-4-7(13)2-3-9(10)12/h2-4H,1H3,(H2,15,16,17)
InChIKeyHWIKVDNPTUQQBQ-UHFFFAOYSA-N
XLogP2.81
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide
CID 86803070
2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112699522
5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide
CID 91651974
4-bromo-3-[(4,5-dimethyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617559
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide
CID 80703861
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide
CID 75448897
6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710664
3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106073368
N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide
CID 172538343
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 86791972
N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103773290
2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide
CID 79503678

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 100668364) is 2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1[nH]nc(NS(=O)(=O)c2cc(Cl)ccc2Br)c1C#N.
What is the InChIKey of 2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is HWIKVDNPTUQQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN4O2S/c1-6-8(5-14)11(16-15-6)17-20(18,19)10-4-7(13)2-3-9(10)12/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 375.64 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 100668364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).