N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide

C9H9BrN4O2S — CID 82861812

IUPACN-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1Br
InChIInChI=1S/C9H9BrN4O2S/c10-8-3-6(1-2-9(8)11)14-17(15,16)7-4-12-13-5-7/h1-5,14H,11H2,(H,12,13)
InChIKeyVOXICDVMEDEPFC-UHFFFAOYSA-N
MW317.17 g/mol
LogP1.56
Rot. Bonds3

About N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide

N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 82861812) has the molecular formula C9H9BrN4O2S and a molecular weight of 317.17 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID82861812
Molecular FormulaC9H9BrN4O2S
Molecular Weight317.17 g/mol
Exact Mass315.96
IUPAC NameN-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1Br
InChIInChI=1S/C9H9BrN4O2S/c10-8-3-6(1-2-9(8)11)14-17(15,16)7-4-12-13-5-7/h1-5,14H,11H2,(H,12,13)
InChIKeyVOXICDVMEDEPFC-UHFFFAOYSA-N
XLogP1.56
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 51.56
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

N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
N-(4-bromo-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 79767477
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 105055698
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438
4-amino-3-bromo-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775504
N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936916
N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54937351
N-(4-amino-3-bromophenyl)-3-methylbenzenesulfonamide
CID 82861740
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide (CID 82861812) is N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide is Nc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VOXICDVMEDEPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2S/c10-8-3-6(1-2-9(8)11)14-17(15,16)7-4-12-13-5-7/h1-5,14H,11H2,(H,12,13).
What are the key properties of N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide?
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 317.17 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 82861812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).