N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide

C13H24BrNO2S — CID 112753043

IUPACN-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide
SMILESO=S(=O)(NC1CCC(CBr)CC1)C1CCCCC1
InChIInChI=1S/C13H24BrNO2S/c14-10-11-6-8-12(9-7-11)15-18(16,17)13-4-2-1-3-5-13/h11-13,15H,1-10H2
InChIKeyTVSWWOFKRSTTCM-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.19
Rot. Bonds4

About N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide

N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide (PubChem CID 112753043) has the molecular formula C13H24BrNO2S and a molecular weight of 338.31 g/mol. Its IUPAC name is N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide
PubChem CID112753043
Molecular FormulaC13H24BrNO2S
Molecular Weight338.31 g/mol
Exact Mass337.07
IUPAC NameN-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide
SMILESO=S(=O)(NC1CCC(CBr)CC1)C1CCCCC1
InChIInChI=1S/C13H24BrNO2S/c14-10-11-6-8-12(9-7-11)15-18(16,17)13-4-2-1-3-5-13/h11-13,15H,1-10H2
InChIKeyTVSWWOFKRSTTCM-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.19
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-(4-bromocyclohexyl)cyclohexanesulfonamide
CID 114295814
N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide
CID 115277356
N-piperidin-4-ylcyclopentanesulfonamide
CID 115752108
cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 114173300
N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 154575693
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide
CID 165443916
N-(azepan-4-yl)cyclopentanesulfonamide
CID 107172836
N-(1-bromobutan-2-yl)cyclohexanesulfonamide
CID 114298361
N-(1-bromopropan-2-yl)cyclohexanesulfonamide
CID 114294295
2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide
CID 105361155
N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide
CID 106304856
N-(6-bromohexyl)cyclohexanesulfonamide
CID 107848725

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide?
The IUPAC name of N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide (CID 112753043) is N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide?
The canonical SMILES for N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide is O=S(=O)(NC1CCC(CBr)CC1)C1CCCCC1.
What is the InChIKey of N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide?
The InChIKey is TVSWWOFKRSTTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2S/c14-10-11-6-8-12(9-7-11)15-18(16,17)13-4-2-1-3-5-13/h11-13,15H,1-10H2.
What are the key properties of N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide?
N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide has a molecular weight of 338.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide is sourced from PubChem (CID 112753043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).