N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide

C19H19BrN4O3S — CID 31798884

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C19H19BrN4O3S/c1-23(19(25)17-9-16(28(21,26)27)7-8-18(17)20)11-15-10-22-24(13-15)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,21,26,27)
InChIKeyAMMZEORAMQOTKF-UHFFFAOYSA-N
MW463.36 g/mol
LogP2.61
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide

N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide (PubChem CID 31798884) has the molecular formula C19H19BrN4O3S and a molecular weight of 463.36 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide
PubChem CID31798884
Molecular FormulaC19H19BrN4O3S
Molecular Weight463.36 g/mol
Exact Mass462.04
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C19H19BrN4O3S/c1-23(19(25)17-9-16(28(21,26)27)7-8-18(17)20)11-15-10-22-24(13-15)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,21,26,27)
InChIKeyAMMZEORAMQOTKF-UHFFFAOYSA-N
XLogP2.61
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 34889810
N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide
CID 31798787
N-[(1-benzylpyrazol-4-yl)methyl]-4-bromo-N,3-dimethylbenzenesulfonamide
CID 26545286
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
methyl 5-[(1-benzylpyrazol-4-yl)sulfamoyl]-2-bromobenzoate
CID 60549403
N-[(1-benzylpyrazol-4-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 31673836
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide
CID 33258382
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331
2-chloro-N-methyl-5-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 78820035
2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47163482
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 55653157

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide (CID 31798884) is N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(S(N)(=O)=O)ccc1Br.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide?
The InChIKey is AMMZEORAMQOTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3S/c1-23(19(25)17-9-16(28(21,26)27)7-8-18(17)20)11-15-10-22-24(13-15)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,21,26,27).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide has a molecular weight of 463.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 31798884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).