N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide

C10H11BrN4O4S2 — CID 102691391

IUPACN-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccn[nH]2)c(Br)cc1S(N)(=O)=O
InChIInChI=1S/C10H11BrN4O4S2/c1-6-4-8(7(11)5-9(6)20(12,16)17)15-21(18,19)10-2-3-13-14-10/h2-5,15H,1H3,(H,13,14)(H2,12,16,17)
InChIKeyDLEOKKBBHFEAAZ-UHFFFAOYSA-N
MW395.26 g/mol
LogP0.93
Rot. Bonds4

About N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide

N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691391) has the molecular formula C10H11BrN4O4S2 and a molecular weight of 395.26 g/mol. Its IUPAC name is N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691391
Molecular FormulaC10H11BrN4O4S2
Molecular Weight395.26 g/mol
Exact Mass393.94
IUPAC NameN-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccn[nH]2)c(Br)cc1S(N)(=O)=O
InChIInChI=1S/C10H11BrN4O4S2/c1-6-4-8(7(11)5-9(6)20(12,16)17)15-21(18,19)10-2-3-13-14-10/h2-5,15H,1H3,(H,13,14)(H2,12,16,17)
InChIKeyDLEOKKBBHFEAAZ-UHFFFAOYSA-N
XLogP0.93
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
CID 102691035
3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 107790817
3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692470
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
N-(2-fluoro-5-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102693891
N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692966
N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692751
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460
N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102693893
2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarbothioamide
CID 107799115
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide (CID 102691391) is N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2ccn[nH]2)c(Br)cc1S(N)(=O)=O.
What is the InChIKey of N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is DLEOKKBBHFEAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O4S2/c1-6-4-8(7(11)5-9(6)20(12,16)17)15-21(18,19)10-2-3-13-14-10/h2-5,15H,1H3,(H,13,14)(H2,12,16,17).
What are the key properties of N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide?
N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 395.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).