N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide

C17H16BrN3O2S — CID 60534307

IUPACN-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(Br)c1
InChIInChI=1S/C17H16BrN3O2S/c1-13-7-8-17(16(18)9-13)24(22,23)20-15-10-19-21(12-15)11-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3
InChIKeyQBGGWHIDUUNDSM-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.80
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide

N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide (PubChem CID 60534307) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
PubChem CID60534307
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(Br)c1
InChIInChI=1S/C17H16BrN3O2S/c1-13-7-8-17(16(18)9-13)24(22,23)20-15-10-19-21(12-15)11-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3
InChIKeyQBGGWHIDUUNDSM-UHFFFAOYSA-N
XLogP3.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 113229970
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 113226024
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 167971932
5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 17022730
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22205075
N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide
CID 83092889
2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 22204580
2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 5258146
methyl 5-[(1-benzylpyrazol-4-yl)sulfamoyl]-2-bromobenzoate
CID 60549403
N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
CID 22205086

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide (CID 60534307) is N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(Br)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide?
The InChIKey is QBGGWHIDUUNDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c1-13-7-8-17(16(18)9-13)24(22,23)20-15-10-19-21(12-15)11-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3.
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide?
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide has a molecular weight of 406.31 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 60534307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).