N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide

C9H14BrN3O2S — CID 114297358

IUPACN-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCCC1Br)c1cn[nH]c1
InChIInChI=1S/C9H14BrN3O2S/c10-8-3-1-2-4-9(8)13-16(14,15)7-5-11-12-6-7/h5-6,8-9,13H,1-4H2,(H,11,12)
InChIKeyLALQQKPGRCSYIM-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.39
Rot. Bonds3

About N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide

N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide (PubChem CID 114297358) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide
PubChem CID114297358
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC NameN-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCCC1Br)c1cn[nH]c1
InChIInChI=1S/C9H14BrN3O2S/c10-8-3-1-2-4-9(8)13-16(14,15)7-5-11-12-6-7/h5-6,8-9,13H,1-4H2,(H,11,12)
InChIKeyLALQQKPGRCSYIM-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-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide
CID 62955865
N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide
CID 114297364
N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114297377
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
N-(4-ethylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61354875
N-[[2-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
CID 114295398
3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63044386
N-(2-bromocyclohexyl)-4-nitrobenzenesulfonamide
CID 106441050
N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
CID 114297346
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
CID 61275750

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide (CID 114297358) is N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NC1CCCCC1Br)c1cn[nH]c1.
What is the InChIKey of N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LALQQKPGRCSYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c10-8-3-1-2-4-9(8)13-16(14,15)7-5-11-12-6-7/h5-6,8-9,13H,1-4H2,(H,11,12).
What are the key properties of N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide?
N-(2-bromocyclohexyl)-1H-pyrazole-4-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-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114297358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).