N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

C17H15BrClN3O2S — CID 22774641

IUPACN-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C17H15BrClN3O2S/c1-11-17(12(2)22(20-11)14-6-4-3-5-7-14)25(23,24)21-16-9-8-13(18)10-15(16)19/h3-10,21H,1-2H3
InChIKeyBSCSPGYUSWHYIL-UHFFFAOYSA-N
MW440.75 g/mol
LogP4.71
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 22774641) has the molecular formula C17H15BrClN3O2S and a molecular weight of 440.75 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID22774641
Molecular FormulaC17H15BrClN3O2S
Molecular Weight440.75 g/mol
Exact Mass438.98
IUPAC NameN-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C17H15BrClN3O2S/c1-11-17(12(2)22(20-11)14-6-4-3-5-7-14)25(23,24)21-16-9-8-13(18)10-15(16)19/h3-10,21H,1-2H3
InChIKeyBSCSPGYUSWHYIL-UHFFFAOYSA-N
XLogP4.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.75
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 22774641) is N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is BSCSPGYUSWHYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O2S/c1-11-17(12(2)22(20-11)14-6-4-3-5-7-14)25(23,24)21-16-9-8-13(18)10-15(16)19/h3-10,21H,1-2H3.
What are the key properties of N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 440.75 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22774641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).