N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide

C14H20BrNO2S — CID 113271120

IUPACN-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide
SMILESCC(Br)c1ccccc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H20BrNO2S/c1-11(15)13-9-5-6-10-14(13)16-19(17,18)12-7-3-2-4-8-12/h5-6,9-12,16H,2-4,7-8H2,1H3
InChIKeyAHUMQEFNCRMVCP-UHFFFAOYSA-N
MW346.29 g/mol
LogP4.22
Rot. Bonds4

About N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide

N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide (PubChem CID 113271120) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide
PubChem CID113271120
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide
SMILESCC(Br)c1ccccc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H20BrNO2S/c1-11(15)13-9-5-6-10-14(13)16-19(17,18)12-7-3-2-4-8-12/h5-6,9-12,16H,2-4,7-8H2,1H3
InChIKeyAHUMQEFNCRMVCP-UHFFFAOYSA-N
XLogP4.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 54.22
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-(1-bromoethyl)phenyl]azepane-1-sulfonamide
CID 114294193
N-(3-hydroxy-2-methylphenyl)cyclopentanesulfonamide
CID 105361239
N-[4-[4-(cyclohexylsulfonylamino)-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-1-yl]cyclohexanesulfonamide
CID 70882647
2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide
CID 114294156
1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene
CID 113271126
N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide
CID 112745152
N-[4-(1-aminoethyl)phenyl]cyclopentanesulfonamide
CID 105361013
N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide
CID 114294158
N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide
CID 42623685
N-quinolin-8-ylcyclohexanesulfonamide
CID 16759534
2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid
CID 61066174
2-chloro-6-(cyclohexylsulfonylamino)benzoic acid
CID 63724305

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide (CID 113271120) is N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide is CC(Br)c1ccccc1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide?
The InChIKey is AHUMQEFNCRMVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-11(15)13-9-5-6-10-14(13)16-19(17,18)12-7-3-2-4-8-12/h5-6,9-12,16H,2-4,7-8H2,1H3.
What are the key properties of N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide?
N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide is sourced from PubChem (CID 113271120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).