2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C10H11BrN4O2S — CID 61126768

IUPAC2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H11BrN4O2S/c11-8-1-2-9(12)10(3-8)18(16,17)15-6-7-4-13-14-5-7/h1-5,15H,6,12H2,(H,13,14)
InChIKeyUYQLRSWHDMOZNI-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.23
Rot. Bonds4

About 2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 61126768) has the molecular formula C10H11BrN4O2S and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID61126768
Molecular FormulaC10H11BrN4O2S
Molecular Weight331.20 g/mol
Exact Mass329.98
IUPAC Name2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H11BrN4O2S/c11-8-1-2-9(12)10(3-8)18(16,17)15-6-7-4-13-14-5-7/h1-5,15H,6,12H2,(H,13,14)
InChIKeyUYQLRSWHDMOZNI-UHFFFAOYSA-N
XLogP1.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 114379208
2-amino-5-bromo-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 60986118
4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126765
5-(aminomethyl)-3-bromo-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016086
2-amino-5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzenesulfonamide
CID 61298867
2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81171163
2-amino-5-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698297
2-amino-5-bromo-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954439
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897316
2-amino-3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 103171290
5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016051
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016129

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 61126768) is 2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is Nc1ccc(Br)cc1S(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is UYQLRSWHDMOZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2S/c11-8-1-2-9(12)10(3-8)18(16,17)15-6-7-4-13-14-5-7/h1-5,15H,6,12H2,(H,13,14).
What are the key properties of 2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 331.20 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61126768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).