N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride

C7H12ClF2NO2S — CID 164655431

IUPACN-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride
SMILESO=S(=O)(Cl)NCC1CCC(F)(F)CC1
InChIInChI=1S/C7H12ClF2NO2S/c8-14(12,13)11-5-6-1-3-7(9,10)4-2-6/h6,11H,1-5H2
InChIKeyUZIIGWHAPZSGTA-UHFFFAOYSA-N
MW247.69 g/mol
LogP1.89
Rot. Bonds3

About N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride

N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride (PubChem CID 164655431) has the molecular formula C7H12ClF2NO2S and a molecular weight of 247.69 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride
PubChem CID164655431
Molecular FormulaC7H12ClF2NO2S
Molecular Weight247.69 g/mol
Exact Mass247.02
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride
SMILESO=S(=O)(Cl)NCC1CCC(F)(F)CC1
InChIInChI=1S/C7H12ClF2NO2S/c8-14(12,13)11-5-6-1-3-7(9,10)4-2-6/h6,11H,1-5H2
InChIKeyUZIIGWHAPZSGTA-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-Difluorocyclohexyl)methanamine hydrochloride
CID 45158931
N-(Cyclohexylmethyl)trifluoromethanesulfonamide
CID 67477256
(2,2-Difluorocyclohexyl)methanamine hydrochloride
CID 105441933
rac-1-[(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine hydrochloride
CID 178190444
(3,3-Difluorocyclohexyl)methanamine hydrochloride
CID 86277083
(4,4-Difluorocyclohexyl)methanamine;hydron;chloride
CID 90407300
lithium N-[(3,3-difluorocyclohexyl)methyl]sulfamate
CID 156663491
lithium N-[(4,4-difluorocyclohexyl)methyl]sulfamate
CID 156663503
1,1-Difluoro-4-[(sulfamoylamino)methyl]cyclohexane
CID 175947615
1-[(Sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane
CID 175947647
1-(Sulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 112684323
1-(Sulfamoylamino)-2-(trifluoromethyl)cyclohexane
CID 112684326

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride (CID 164655431) is N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride is O=S(=O)(Cl)NCC1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride?
The InChIKey is UZIIGWHAPZSGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClF2NO2S/c8-14(12,13)11-5-6-1-3-7(9,10)4-2-6/h6,11H,1-5H2.
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride?
N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride has a molecular weight of 247.69 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]sulfamoyl chloride is sourced from PubChem (CID 164655431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).