4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

C14H18INO4S — CID 79525486

IUPAC4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNS(=O)(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C14H18INO4S/c15-12-5-7-13(8-6-12)21(19,20)16-9-10-1-3-11(4-2-10)14(17)18/h5-8,10-11,16H,1-4,9H2,(H,17,18)
InChIKeyVUBDKPGLRCGLTL-UHFFFAOYSA-N
MW423.27 g/mol
LogP2.46
Rot. Bonds5

About 4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525486) has the molecular formula C14H18INO4S and a molecular weight of 423.27 g/mol. Its IUPAC name is 4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79525486
Molecular FormulaC14H18INO4S
Molecular Weight423.27 g/mol
Exact Mass423.00
IUPAC Name4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNS(=O)(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C14H18INO4S/c15-12-5-7-13(8-6-12)21(19,20)16-9-10-1-3-11(4-2-10)14(17)18/h5-8,10-11,16H,1-4,9H2,(H,17,18)
InChIKeyVUBDKPGLRCGLTL-UHFFFAOYSA-N
XLogP2.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic 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

N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 132971400
3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030163
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
4-[(benzylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525485
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69029468
4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 92863752
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672481

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (CID 79525486) is 4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNS(=O)(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of 4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VUBDKPGLRCGLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO4S/c15-12-5-7-13(8-6-12)21(19,20)16-9-10-1-3-11(4-2-10)14(17)18/h5-8,10-11,16H,1-4,9H2,(H,17,18).
What are the key properties of 4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 423.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).