N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide

C14H18BrN3O2S — CID 155962473

IUPACN-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide
SMILESCc1ccc(N(C(C)C)S(=O)(=O)c2ccnn2C)c(Br)c1
InChIInChI=1S/C14H18BrN3O2S/c1-10(2)18(13-6-5-11(3)9-12(13)15)21(19,20)14-7-8-16-17(14)4/h5-10H,1-4H3
InChIKeyPSBHWWNHUJDMJS-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.09
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide

N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide (PubChem CID 155962473) has the molecular formula C14H18BrN3O2S and a molecular weight of 372.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide
PubChem CID155962473
Molecular FormulaC14H18BrN3O2S
Molecular Weight372.29 g/mol
Exact Mass371.03
IUPAC NameN-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide
SMILESCc1ccc(N(C(C)C)S(=O)(=O)c2ccnn2C)c(Br)c1
InChIInChI=1S/C14H18BrN3O2S/c1-10(2)18(13-6-5-11(3)9-12(13)15)21(19,20)14-7-8-16-17(14)4/h5-10H,1-4H3
InChIKeyPSBHWWNHUJDMJS-UHFFFAOYSA-N
XLogP3.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide (CID 155962473) is N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide is Cc1ccc(N(C(C)C)S(=O)(=O)c2ccnn2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide?
The InChIKey is PSBHWWNHUJDMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2S/c1-10(2)18(13-6-5-11(3)9-12(13)15)21(19,20)14-7-8-16-17(14)4/h5-10H,1-4H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide?
N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide has a molecular weight of 372.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 155962473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).