N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide

C10H16BrN3O2S — CID 114293726

IUPACN-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCCCC1)c1cn[nH]c1
InChIInChI=1S/C10H16BrN3O2S/c11-8-10(4-2-1-3-5-10)14-17(15,16)9-6-12-13-7-9/h6-7,14H,1-5,8H2,(H,12,13)
InChIKeyPFWPGCBPJJFITM-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.79
Rot. Bonds4

About N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide

N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide (PubChem CID 114293726) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
PubChem CID114293726
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCCCC1)c1cn[nH]c1
InChIInChI=1S/C10H16BrN3O2S/c11-8-10(4-2-1-3-5-10)14-17(15,16)9-6-12-13-7-9/h6-7,14H,1-5,8H2,(H,12,13)
InChIKeyPFWPGCBPJJFITM-UHFFFAOYSA-N
XLogP1.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.79
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-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide
CID 47377357
N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide
CID 61122968
N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 114297176
1-(1H-pyrazol-4-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123573
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide
CID 54937046
N-[[2-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
CID 114295398
N-[3-(bromomethyl)pentan-3-yl]-1H-pyrazole-4-sulfonamide
CID 114294057
5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 114293728
3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 113271024
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 114760112
N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114293762
5-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-sulfonamide
CID 114297084

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide (CID 114293726) is N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NC1(CBr)CCCCC1)c1cn[nH]c1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is PFWPGCBPJJFITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c11-8-10(4-2-1-3-5-10)14-17(15,16)9-6-12-13-7-9/h6-7,14H,1-5,8H2,(H,12,13).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 322.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114293726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).