N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide

C14H19BrFNO2S — CID 114293734

IUPACN-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C14H19BrFNO2S/c1-11-5-6-12(16)9-13(11)20(18,19)17-14(10-15)7-3-2-4-8-14/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyNFOJVCZNFIUXDQ-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.51
Rot. Bonds4

About N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide

N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 114293734) has the molecular formula C14H19BrFNO2S and a molecular weight of 364.28 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID114293734
Molecular FormulaC14H19BrFNO2S
Molecular Weight364.28 g/mol
Exact Mass363.03
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C14H19BrFNO2S/c1-11-5-6-12(16)9-13(11)20(18,19)17-14(10-15)7-3-2-4-8-14/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyNFOJVCZNFIUXDQ-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.51
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-(1-amino-2-methylpropan-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 75431088
N-(1-bromo-3-fluoro-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 146168734
N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
CID 4112047
N-tert-butyl-2-(trifluoromethyl)benzenesulfonamide
CID 23448665
N-[2-bromo-2-(4-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 102480169
trans-2-bromo-N-tosylcyclohexanamine
CID 11416292
4-fluoro-3-methyl-N-(1,1,3,3-tetramethylbutyl)benzenesulfonamide
CID 2147929
N-(1-ethynylcyclohexyl)-4-fluorobenzenesulfonamide
CID 3766326
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
4-fluoro-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 32155978
N-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 47104258
4'-(Bromomethyl)-N-t-butyl-3'-fluoro-2-biphenylsulfonamide
CID 10046521

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide (CID 114293734) is N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is NFOJVCZNFIUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2S/c1-11-5-6-12(16)9-13(11)20(18,19)17-14(10-15)7-3-2-4-8-14/h5-6,9,17H,2-4,7-8,10H2,1H3.
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 364.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 114293734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).