N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide

C14H18BrN3O2S — CID 25041383

IUPACN-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Nc2[nH]ncc2Br)cc1
InChIInChI=1S/C14H18BrN3O2S/c1-4-14(2,3)10-5-7-11(8-6-10)21(19,20)18-13-12(15)9-16-17-13/h5-9H,4H2,1-3H3,(H2,16,17,18)
InChIKeyPPAGMSJRFJCPIW-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.66
Rot. Bonds5

About N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide

N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 25041383) has the molecular formula C14H18BrN3O2S and a molecular weight of 372.29 g/mol. Its IUPAC name is N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID25041383
Molecular FormulaC14H18BrN3O2S
Molecular Weight372.29 g/mol
Exact Mass371.03
IUPAC NameN-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Nc2[nH]ncc2Br)cc1
InChIInChI=1S/C14H18BrN3O2S/c1-4-14(2,3)10-5-7-11(8-6-10)21(19,20)18-13-12(15)9-16-17-13/h5-9H,4H2,1-3H3,(H2,16,17,18)
InChIKeyPPAGMSJRFJCPIW-UHFFFAOYSA-N
XLogP3.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide (CID 25041383) is N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)Nc2[nH]ncc2Br)cc1.
What is the InChIKey of N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is PPAGMSJRFJCPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2S/c1-4-14(2,3)10-5-7-11(8-6-10)21(19,20)18-13-12(15)9-16-17-13/h5-9H,4H2,1-3H3,(H2,16,17,18).
What are the key properties of N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 372.29 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1H-pyrazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 25041383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).