4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide

C12H14Br2N4O2S — CID 107462048

IUPAC4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H14Br2N4O2S/c1-3-10-11(6-18(2)16-10)17-21(19,20)12-8(13)4-7(15)5-9(12)14/h4-6,17H,3,15H2,1-2H3
InChIKeyKAHFDVNDBXYPDM-UHFFFAOYSA-N
MW438.15 g/mol
LogP2.89
Rot. Bonds4

About 4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide

4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 107462048) has the molecular formula C12H14Br2N4O2S and a molecular weight of 438.15 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID107462048
Molecular FormulaC12H14Br2N4O2S
Molecular Weight438.15 g/mol
Exact Mass435.92
IUPAC Name4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H14Br2N4O2S/c1-3-10-11(6-18(2)16-10)17-21(19,20)12-8(13)4-7(15)5-9(12)14/h4-6,17H,3,15H2,1-2H3
InChIKeyKAHFDVNDBXYPDM-UHFFFAOYSA-N
XLogP2.89
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.15
LogP ≤ 52.89
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

4-amino-2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462077
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 107461994
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000
4-amino-3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107463815
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 103908024
3-ethyl-N-(ethylsulfonimidoyl)-1-methylpyrazol-4-amine
CID 164648393
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 107462034
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide
CID 107462576
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462568
4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 102803397
N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106000617
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106090329

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide (CID 107462048) is 4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide is CCc1nn(C)cc1NS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is KAHFDVNDBXYPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N4O2S/c1-3-10-11(6-18(2)16-10)17-21(19,20)12-8(13)4-7(15)5-9(12)14/h4-6,17H,3,15H2,1-2H3.
What are the key properties of 4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 438.15 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 107462048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).