N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide

C12H24BrNO2S — CID 106135593

IUPACN-(4-bromopentyl)-1-cyclohexylmethanesulfonamide
SMILESCC(Br)CCCNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H24BrNO2S/c1-11(13)6-5-9-14-17(15,16)10-12-7-3-2-4-8-12/h11-12,14H,2-10H2,1H3
InChIKeyPGOGKKAYIBDHHF-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.05
Rot. Bonds7

About N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide

N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide (PubChem CID 106135593) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-1-cyclohexylmethanesulfonamide
PubChem CID106135593
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC NameN-(4-bromopentyl)-1-cyclohexylmethanesulfonamide
SMILESCC(Br)CCCNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H24BrNO2S/c1-11(13)6-5-9-14-17(15,16)10-12-7-3-2-4-8-12/h11-12,14H,2-10H2,1H3
InChIKeyPGOGKKAYIBDHHF-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide
CID 123680333
N-[4-(2-bromo-2-fluorocyclopropyl)butyl]ethanesulfonamide
CID 177901846
N-[(2-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058116
N-[(3-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106135946
N-[(4-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106136190
N-[2-(2-bromoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114145887
N-(cyclohexylmethyl)butane-1-sulfonamide
CID 19684283
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313
N-(2-cyclohexylethyl)-N-propanesulfonylamine
CID 18361106
N-(2-cyclohexylethyl)ethanesulfonamide
CID 61354861
N-(cyclohexylmethyl)propane-2-sulfonamide
CID 61360832
N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide
CID 61384125

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide (CID 106135593) is N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide is CC(Br)CCCNS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is PGOGKKAYIBDHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c1-11(13)6-5-9-14-17(15,16)10-12-7-3-2-4-8-12/h11-12,14H,2-10H2,1H3.
What are the key properties of N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide?
N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 326.30 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 106135593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).