(3,3-difluorocyclohexyl)sulfamic acid

C6H11F2NO3S — CID 162505237

IUPAC(3,3-difluorocyclohexyl)sulfamic acid
SMILESO=S(=O)(O)NC1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2NO3S/c7-6(8)3-1-2-5(4-6)9-13(10,11)12/h5,9H,1-4H2,(H,10,11,12)
InChIKeySICGCZNALOLVIL-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.96
Rot. Bonds2

About (3,3-difluorocyclohexyl)sulfamic acid

(3,3-difluorocyclohexyl)sulfamic acid (PubChem CID 162505237) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is (3,3-difluorocyclohexyl)sulfamic acid.

Molecular Properties

Compound Name(3,3-difluorocyclohexyl)sulfamic acid
PubChem CID162505237
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name(3,3-difluorocyclohexyl)sulfamic acid
SMILESO=S(=O)(O)NC1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2NO3S/c7-6(8)3-1-2-5(4-6)9-13(10,11)12/h5,9H,1-4H2,(H,10,11,12)
InChIKeySICGCZNALOLVIL-UHFFFAOYSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (3,3-difluorocyclohexyl)sulfamic acid 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

Cyclamate
CID 7533
N-Cyclohexyltrifluoromethanesulfonamide
CID 14965464
Cyclamate magnesium dihydrate
CID 24438
Aminocyclohexylsulfonic acid, sodium salt
CID 24185711
Barium(2+);cyclohexylsulfamic acid
CID 54605044
CID 68761393
CID 68761393
(2,2,3,3,4,4,5,5,6,6-Decafluorocyclohexyl)sulfamic acid
CID 87415618
Cyclohexylsulfamoyl(difluoro)methanesulfonic acid
CID 90005418
(3,3-Difluorocyclopentyl)sulfamic acid
CID 146839726
(2,2-Difluorocyclopentyl)sulfamic acid
CID 156663485
(4,4-Difluorocyclohexyl)sulfamic acid
CID 158860873
Cyclohexanamine;trifluoromethanesulfonic acid
CID 160893093

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclohexyl)sulfamic acid?
The IUPAC name of (3,3-difluorocyclohexyl)sulfamic acid (CID 162505237) is (3,3-difluorocyclohexyl)sulfamic acid.
What is the SMILES notation for (3,3-difluorocyclohexyl)sulfamic acid?
The canonical SMILES for (3,3-difluorocyclohexyl)sulfamic acid is O=S(=O)(O)NC1CCCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclohexyl)sulfamic acid?
The InChIKey is SICGCZNALOLVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c7-6(8)3-1-2-5(4-6)9-13(10,11)12/h5,9H,1-4H2,(H,10,11,12).
What are the key properties of (3,3-difluorocyclohexyl)sulfamic acid?
(3,3-difluorocyclohexyl)sulfamic acid has a molecular weight of 215.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclohexyl)sulfamic acid is sourced from PubChem (CID 162505237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).