N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide

C10H20BrNO2S — CID 114297567

IUPACN-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCCCC1Br
InChIInChI=1S/C10H20BrNO2S/c1-8(2)15(13,14)12-7-9-5-3-4-6-10(9)11/h8-10,12H,3-7H2,1-2H3
InChIKeyABAZJIUVXNLAOR-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.27
Rot. Bonds4

About N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide

N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide (PubChem CID 114297567) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide
PubChem CID114297567
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCCCC1Br
InChIInChI=1S/C10H20BrNO2S/c1-8(2)15(13,14)12-7-9-5-3-4-6-10(9)11/h8-10,12H,3-7H2,1-2H3
InChIKeyABAZJIUVXNLAOR-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 114297606
N-[(2-bromocyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 104522412
2,5-dibromo-N-[(2-bromocyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 114297544
N-[(2-bromocyclohexyl)methyl]acetamide
CID 114312171
N-[(2-bromocyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 113271773
N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide
CID 114312233
N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 113271784
N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide
CID 106367782
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 114297585
5-bromo-N-[(2-bromocyclohexyl)methyl]pyridine-3-sulfonamide
CID 114297590
N-cyclodecylpropane-2-sulfonamide
CID 131977128
N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide
CID 114313788

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide (CID 114297567) is N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCCCC1Br.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide?
The InChIKey is ABAZJIUVXNLAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-8(2)15(13,14)12-7-9-5-3-4-6-10(9)11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide?
N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 114297567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).