N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide

C11H11BrClN3O2S — CID 2805609

IUPACN-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H11BrClN3O2S/c1-7-10(11(13)16(2)14-7)19(17,18)15-9-5-3-8(12)4-6-9/h3-6,15H,1-2H3
InChIKeyOZTRKAANMABSME-UHFFFAOYSA-N
MW364.65 g/mol
LogP2.95
Rot. Bonds3

About N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide

N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 2805609) has the molecular formula C11H11BrClN3O2S and a molecular weight of 364.65 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID2805609
Molecular FormulaC11H11BrClN3O2S
Molecular Weight364.65 g/mol
Exact Mass362.94
IUPAC NameN-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H11BrClN3O2S/c1-7-10(11(13)16(2)14-7)19(17,18)15-9-5-3-8(12)4-6-9/h3-6,15H,1-2H3
InChIKeyOZTRKAANMABSME-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.65
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide (CID 2805609) is N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is OZTRKAANMABSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O2S/c1-7-10(11(13)16(2)14-7)19(17,18)15-9-5-3-8(12)4-6-9/h3-6,15H,1-2H3.
What are the key properties of N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 364.65 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 2805609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).