4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid

C7H12ClNO4S — CID 140552896

IUPAC4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(S(=O)(=O)NCl)CC1
InChIInChI=1S/C7H12ClNO4S/c8-9-14(12,13)6-3-1-5(2-4-6)7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeyCGJOJKJPVYBTJG-UHFFFAOYSA-N
MW241.70 g/mol
LogP0.70
Rot. Bonds3

About 4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid

4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid (PubChem CID 140552896) has the molecular formula C7H12ClNO4S and a molecular weight of 241.70 g/mol. Its IUPAC name is 4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid
PubChem CID140552896
Molecular FormulaC7H12ClNO4S
Molecular Weight241.70 g/mol
Exact Mass241.02
IUPAC Name4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(S(=O)(=O)NCl)CC1
InChIInChI=1S/C7H12ClNO4S/c8-9-14(12,13)6-3-1-5(2-4-6)7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeyCGJOJKJPVYBTJG-UHFFFAOYSA-N
XLogP0.70
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid
CID 166513762
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
4-(4-methylcyclohexyl)sulfonylcyclohexane-1-carboxylic acid
CID 131877741
cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 114173300
(4-carboxycyclohexyl)azanium
CID 4518459
trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid
CID 99962548
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
4-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid
CID 146591090
4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674300
N-hydroxycyclopropanesulfonamide
CID 174466142
cyclohexane-1,4-dicarboxylic acid;formic acid
CID 157153528

Frequently Asked Questions

What is the IUPAC name of 4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid (CID 140552896) is 4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(S(=O)(=O)NCl)CC1.
What is the InChIKey of 4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is CGJOJKJPVYBTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO4S/c8-9-14(12,13)6-3-1-5(2-4-6)7(10)11/h5-6,9H,1-4H2,(H,10,11).
What are the key properties of 4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid?
4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 241.70 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chlorosulfamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 140552896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).