N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide

C9H14BrN3O2S — CID 102694021

IUPACN-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCC(Br)CC1)c1ccn[nH]1
InChIInChI=1S/C9H14BrN3O2S/c10-7-1-3-8(4-2-7)13-16(14,15)9-5-6-11-12-9/h5-8,13H,1-4H2,(H,11,12)
InChIKeyUVYLVUQGWPMVOR-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.39
Rot. Bonds3

About N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide

N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102694021) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide
PubChem CID102694021
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC NameN-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCC(Br)CC1)c1ccn[nH]1
InChIInChI=1S/C9H14BrN3O2S/c10-7-1-3-8(4-2-7)13-16(14,15)9-5-6-11-12-9/h5-8,13H,1-4H2,(H,11,12)
InChIKeyUVYLVUQGWPMVOR-UHFFFAOYSA-N
XLogP1.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-1H-pyrazole-5-sulfonamide
CID 102691484
N-cycloheptyl-1H-pyrazole-5-sulfonamide
CID 102691549
N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102693697
N-(2-methylcyclopropyl)-1H-pyrazole-5-sulfonamide
CID 102692944
N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102739144
N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide
CID 114295890
N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
CID 106367494
N-[2-(hydroxymethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
CID 106364162
N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 102693289
N-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide
CID 102691693
N-(2,2-dimethylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 102693183
N-cyclopropyl-5-(1H-pyrazol-5-yl)furan-2-sulfonamide
CID 50784763

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide (CID 102694021) is N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NC1CCC(Br)CC1)c1ccn[nH]1.
What is the InChIKey of N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is UVYLVUQGWPMVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c10-7-1-3-8(4-2-7)13-16(14,15)9-5-6-11-12-9/h5-8,13H,1-4H2,(H,11,12).
What are the key properties of N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide?
N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102694021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).