5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

C11H13BrN4O2S — CID 65206650

IUPAC5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H13BrN4O2S/c1-16-9(4-5-14-16)7-15-19(17,18)11-6-8(13)2-3-10(11)12/h2-6,15H,7,13H2,1H3
InChIKeySHQHVQMTOIWQSX-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.24
Rot. Bonds4

About 5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 65206650) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID65206650
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H13BrN4O2S/c1-16-9(4-5-14-16)7-15-19(17,18)11-6-8(13)2-3-10(11)12/h2-6,15H,7,13H2,1H3
InChIKeySHQHVQMTOIWQSX-UHFFFAOYSA-N
XLogP1.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 116530327
2-amino-4,6-dibromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304710
3-bromo-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 71982239
2,5-dibromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693968
5-amino-2,4-difluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304324
3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 107325827
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
5-amino-2-methyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 79896397
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008
5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 103004471
4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82844185

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 65206650) is 5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1nccc1CNS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is SHQHVQMTOIWQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-16-9(4-5-14-16)7-15-19(17,18)11-6-8(13)2-3-10(11)12/h2-6,15H,7,13H2,1H3.
What are the key properties of 5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 345.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 65206650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).