N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide

C14H18BrCl2NO2S — CID 114295411

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1CBr)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18BrCl2NO2S/c15-8-10-3-1-2-4-11(10)9-18-21(19,20)14-6-12(16)5-13(17)7-14/h5-7,10-11,18H,1-4,8-9H2
InChIKeyWBMDKAYIJXBFDB-UHFFFAOYSA-N
MW415.18 g/mol
LogP4.47
Rot. Bonds5

About N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide

N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide (PubChem CID 114295411) has the molecular formula C14H18BrCl2NO2S and a molecular weight of 415.18 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide
PubChem CID114295411
Molecular FormulaC14H18BrCl2NO2S
Molecular Weight415.18 g/mol
Exact Mass412.96
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1CBr)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18BrCl2NO2S/c15-8-10-3-1-2-4-11(10)9-18-21(19,20)14-6-12(16)5-13(17)7-14/h5-7,10-11,18H,1-4,8-9H2
InChIKeyWBMDKAYIJXBFDB-UHFFFAOYSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.18
LogP ≤ 54.47
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-(bromomethyl)cyclohexyl]-3,5-dichlorobenzenesulfonamide
CID 106367660
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]benzenesulfonamide
CID 114295394
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
N-[[2-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
CID 114295398
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114295478
N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 114295389
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide
CID 114297364
N-[[2-(bromomethyl)cyclohexyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 114295432
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 114297585
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113271323

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide (CID 114295411) is N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide is O=S(=O)(NCC1CCCCC1CBr)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide?
The InChIKey is WBMDKAYIJXBFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl2NO2S/c15-8-10-3-1-2-4-11(10)9-18-21(19,20)14-6-12(16)5-13(17)7-14/h5-7,10-11,18H,1-4,8-9H2.
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide has a molecular weight of 415.18 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 114295411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).