N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide

C13H20ClNO2S2 — CID 103970067

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(CCl)CCCCC2)s1
InChIInChI=1S/C13H20ClNO2S2/c1-11-5-6-12(18-11)19(16,17)15-10-13(9-14)7-3-2-4-8-13/h5-6,15H,2-4,7-10H2,1H3
InChIKeyPFQJIKJTMGPVFF-UHFFFAOYSA-N
MW321.90 g/mol
LogP3.52
Rot. Bonds5

About N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide

N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 103970067) has the molecular formula C13H20ClNO2S2 and a molecular weight of 321.90 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide
PubChem CID103970067
Molecular FormulaC13H20ClNO2S2
Molecular Weight321.90 g/mol
Exact Mass321.06
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(CCl)CCCCC2)s1
InChIInChI=1S/C13H20ClNO2S2/c1-11-5-6-12(18-11)19(16,17)15-10-13(9-14)7-3-2-4-8-13/h5-6,15H,2-4,7-10H2,1H3
InChIKeyPFQJIKJTMGPVFF-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.90
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide
CID 115365134
5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 86263781
5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 103965509
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 107271510
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
N-[1-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 55082164
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 113444051
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 103970083
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 8698737
N-[(E)-4-chlorobut-2-enyl]-5-methylthiophene-2-sulfonamide
CID 81430518
N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide
CID 60660795
5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide
CID 106268653

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide (CID 103970067) is N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC2(CCl)CCCCC2)s1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is PFQJIKJTMGPVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S2/c1-11-5-6-12(18-11)19(16,17)15-10-13(9-14)7-3-2-4-8-13/h5-6,15H,2-4,7-10H2,1H3.
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 321.90 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103970067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).