N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide

C11H22BrNO2S — CID 114293758

IUPACN-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C11H22BrNO2S/c1-2-3-9-16(14,15)13-11(10-12)7-5-4-6-8-11/h13H,2-10H2,1H3
InChIKeyJCTAIMUTVVOSRO-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.80
Rot. Bonds6

About N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide

N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide (PubChem CID 114293758) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide
PubChem CID114293758
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C11H22BrNO2S/c1-2-3-9-16(14,15)13-11(10-12)7-5-4-6-8-11/h13H,2-10H2,1H3
InChIKeyJCTAIMUTVVOSRO-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide (CID 114293758) is N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide?
The InChIKey is JCTAIMUTVVOSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-2-3-9-16(14,15)13-11(10-12)7-5-4-6-8-11/h13H,2-10H2,1H3.
What are the key properties of N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide?
N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]butane-1-sulfonamide is sourced from PubChem (CID 114293758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).