4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide

C11H13BrN4O2S — CID 82900100

IUPAC4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
SMILESCc1nn(-c2cc(S(N)(=O)=O)ccc2N)c(C)c1Br
InChIInChI=1S/C11H13BrN4O2S/c1-6-11(12)7(2)16(15-6)10-5-8(19(14,17)18)3-4-9(10)13/h3-5H,13H2,1-2H3,(H2,14,17,18)
InChIKeyMFMFUKVDCNCUJT-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.48
Rot. Bonds2

About 4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide

4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide (PubChem CID 82900100) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
PubChem CID82900100
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
SMILESCc1nn(-c2cc(S(N)(=O)=O)ccc2N)c(C)c1Br
InChIInChI=1S/C11H13BrN4O2S/c1-6-11(12)7(2)16(15-6)10-5-8(19(14,17)18)3-4-9(10)13/h3-5H,13H2,1-2H3,(H2,14,17,18)
InChIKeyMFMFUKVDCNCUJT-UHFFFAOYSA-N
XLogP1.48
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.48
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-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 82903767
4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
CID 82898319
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-nitroaniline
CID 55080397
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-iodoaniline
CID 66080354
4-bromo-1-(2-iodo-4-nitrophenyl)-3,5-dimethylpyrazole
CID 66093297
1-(2-bromophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 61394887
3-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonamide
CID 61347463
5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 114895144
4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole
CID 65343683
3-(4-amino-3-bromophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70565930
4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide
CID 23209697
4-amino-3-(5-bromo-4-fluoro-2-methylanilino)benzenesulfonamide
CID 107590941

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide (CID 82900100) is 4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide is Cc1nn(-c2cc(S(N)(=O)=O)ccc2N)c(C)c1Br.
What is the InChIKey of 4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is MFMFUKVDCNCUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-6-11(12)7(2)16(15-6)10-5-8(19(14,17)18)3-4-9(10)13/h3-5H,13H2,1-2H3,(H2,14,17,18).
What are the key properties of 4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 345.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 82900100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).