N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide

C13H16BrCl2NO2S — CID 114297585

IUPACN-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16BrCl2NO2S/c14-11-4-2-1-3-9(11)8-17-20(18,19)13-7-10(15)5-6-12(13)16/h5-7,9,11,17H,1-4,8H2
InChIKeyAWRMAWYABWOBRD-UHFFFAOYSA-N
MW401.15 g/mol
LogP4.23
Rot. Bonds4

About N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide

N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 114297585) has the molecular formula C13H16BrCl2NO2S and a molecular weight of 401.15 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide
PubChem CID114297585
Molecular FormulaC13H16BrCl2NO2S
Molecular Weight401.15 g/mol
Exact Mass398.95
IUPAC NameN-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16BrCl2NO2S/c14-11-4-2-1-3-9(11)8-17-20(18,19)13-7-10(15)5-6-12(13)16/h5-7,9,11,17H,1-4,8H2
InChIKeyAWRMAWYABWOBRD-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.15
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 113271784
2,5-dichloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66007400
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide
CID 106367511
2,5-dibromo-N-[(2-bromocyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 114297544
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
trans-(1S,2R)-2-[[(5-chloro-2-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 108781400
N-[(2-bromocyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 113271773
N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 114293669
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide
CID 114295411
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 120582919

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide (CID 114297585) is N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide is O=S(=O)(NCC1CCCCC1Br)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is AWRMAWYABWOBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl2NO2S/c14-11-4-2-1-3-9(11)8-17-20(18,19)13-7-10(15)5-6-12(13)16/h5-7,9,11,17H,1-4,8H2.
What are the key properties of N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide?
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 401.15 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 114297585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).