N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide

C12H22ClNO2S — CID 105361716

IUPACN-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide
SMILESO=S(=O)(NC1(CCl)CCCCC1)C1CCCC1
InChIInChI=1S/C12H22ClNO2S/c13-10-12(8-4-1-5-9-12)14-17(15,16)11-6-2-3-7-11/h11,14H,1-10H2
InChIKeyXIRDKAZNBWOYLI-UHFFFAOYSA-N
MW279.83 g/mol
LogP2.79
Rot. Bonds4

About N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide

N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide (PubChem CID 105361716) has the molecular formula C12H22ClNO2S and a molecular weight of 279.83 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide
PubChem CID105361716
Molecular FormulaC12H22ClNO2S
Molecular Weight279.83 g/mol
Exact Mass279.11
IUPAC NameN-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide
SMILESO=S(=O)(NC1(CCl)CCCCC1)C1CCCC1
InChIInChI=1S/C12H22ClNO2S/c13-10-12(8-4-1-5-9-12)14-17(15,16)11-6-2-3-7-11/h11,14H,1-10H2
InChIKeyXIRDKAZNBWOYLI-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.83
LogP ≤ 52.79
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-(aminomethyl)cyclooctyl]cyclohexanesulfonamide
CID 61065631
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide
CID 61065630
1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 61065837
1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid
CID 61066003
N-(1-cyanocycloheptyl)cyclopentanesulfonamide
CID 105361084
N-[1-(chloromethyl)cyclopentyl]cycloheptanamine
CID 82937078
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide
CID 103970028
1-(cyclohexylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123572
2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 65032608
N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 64552221
methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate
CID 114466954

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide?
The IUPAC name of N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide (CID 105361716) is N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide?
The canonical SMILES for N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide is O=S(=O)(NC1(CCl)CCCCC1)C1CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide?
The InChIKey is XIRDKAZNBWOYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2S/c13-10-12(8-4-1-5-9-12)14-17(15,16)11-6-2-3-7-11/h11,14H,1-10H2.
What are the key properties of N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide?
N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide has a molecular weight of 279.83 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).