3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

C11H11BrClN3O2S — CID 106546637

IUPAC3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C11H11BrClN3O2S/c1-16-5-4-8(15-16)7-14-19(17,18)9-2-3-11(13)10(12)6-9/h2-6,14H,7H2,1H3
InChIKeyQGKQQZLYZITNFX-UHFFFAOYSA-N
MW364.65 g/mol
LogP2.31
Rot. Bonds4

About 3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 106546637) has the molecular formula C11H11BrClN3O2S and a molecular weight of 364.65 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID106546637
Molecular FormulaC11H11BrClN3O2S
Molecular Weight364.65 g/mol
Exact Mass362.94
IUPAC Name3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C11H11BrClN3O2S/c1-16-5-4-8(15-16)7-14-19(17,18)9-2-3-11(13)10(12)6-9/h2-6,14H,7H2,1H3
InChIKeyQGKQQZLYZITNFX-UHFFFAOYSA-N
XLogP2.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.65
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881548
3-bromo-4-methoxy-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872635
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 82873052
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484
4-amino-2,6-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882267
3-bromo-4-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 106546394
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
4-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873625
3-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872695
4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873365
4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207734
4-chloro-3-[(1-methylpyrazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 82872668

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 106546637) is 3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1ccc(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is QGKQQZLYZITNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O2S/c1-16-5-4-8(15-16)7-14-19(17,18)9-2-3-11(13)10(12)6-9/h2-6,14H,7H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 364.65 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106546637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).