N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C12H15BrN4O2S — CID 62064019

IUPACN-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C12H15BrN4O2S/c1-7-12(8(2)17(3)15-7)20(18,19)16-11-5-4-9(14)6-10(11)13/h4-6,16H,14H2,1-3H3
InChIKeyISUXZGKUEDFTJD-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.18
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 62064019) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID62064019
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC NameN-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C12H15BrN4O2S/c1-7-12(8(2)17(3)15-7)20(18,19)16-11-5-4-9(14)6-10(11)13/h4-6,16H,14H2,1-3H3
InChIKeyISUXZGKUEDFTJD-UHFFFAOYSA-N
XLogP2.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.18
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

N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43603679
3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358087
N-(2-amino-6-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 116813776
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
5-amino-2-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 65207200
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597
N-(4-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63676567
4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 43258134
N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65499921

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 62064019) is N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(N)cc1Br.
What is the InChIKey of N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is ISUXZGKUEDFTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-7-12(8(2)17(3)15-7)20(18,19)16-11-5-4-9(14)6-10(11)13/h4-6,16H,14H2,1-3H3.
What are the key properties of N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 359.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 62064019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).