N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H16BrN3O2S — CID 114297377

IUPACN-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCCCC1Br
InChIInChI=1S/C10H16BrN3O2S/c1-7-10(6-12-13-7)17(15,16)14-9-5-3-2-4-8(9)11/h6,8-9,14H,2-5H2,1H3,(H,12,13)
InChIKeyYPRKBRRLYKTJBR-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.70
Rot. Bonds3

About N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 114297377) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID114297377
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC NameN-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCCCC1Br
InChIInChI=1S/C10H16BrN3O2S/c1-7-10(6-12-13-7)17(15,16)14-9-5-3-2-4-8(9)11/h6,8-9,14H,2-5H2,1H3,(H,12,13)
InChIKeyYPRKBRRLYKTJBR-UHFFFAOYSA-N
XLogP1.70
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.70
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-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248754
N-[2-(bromomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106367741
N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930247
N-[(2-bromocyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 113271773
5-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazole-4-sulfonamide
CID 61273649
N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 115695681
5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 60910848
N-[[2-(bromomethyl)cyclohexyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 114295432
5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 63361565
N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide
CID 114297358
N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54932976
5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 61248171

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 114297377) is N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is YPRKBRRLYKTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c1-7-10(6-12-13-7)17(15,16)14-9-5-3-2-4-8(9)11/h6,8-9,14H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 322.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114297377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).