3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid

C15H19NO4S — CID 67899502

IUPAC3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid
SMILESCc1ccc(S(=O)(=O)NC2CCC(C=CC(=O)O)C2)cc1
InChIInChI=1S/C15H19NO4S/c1-11-2-7-14(8-3-11)21(19,20)16-13-6-4-12(10-13)5-9-15(17)18/h2-3,5,7-9,12-13,16H,4,6,10H2,1H3,(H,17,18)
InChIKeyGJVZQYZNULMJIE-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.08
Rot. Bonds5

About 3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid

3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid (PubChem CID 67899502) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid
PubChem CID67899502
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid
SMILESCc1ccc(S(=O)(=O)NC2CCC(C=CC(=O)O)C2)cc1
InChIInChI=1S/C15H19NO4S/c1-11-2-7-14(8-3-11)21(19,20)16-13-6-4-12(10-13)5-9-15(17)18/h2-3,5,7-9,12-13,16H,4,6,10H2,1H3,(H,17,18)
InChIKeyGJVZQYZNULMJIE-UHFFFAOYSA-N
XLogP2.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,3R)-3-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 6943892
(Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide
CID 139697175
(3S,5S)-5-[(4-methylphenyl)sulfonylamino]piperidine-1,3-dicarboxylic acid
CID 90906612
4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 32684915
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030163
[2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 55380270
1-[(4-methylphenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]urea
CID 25041483
3-[4-(piperidin-4-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 76899841
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid?
The IUPAC name of 3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid (CID 67899502) is 3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid.
What is the SMILES notation for 3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid?
The canonical SMILES for 3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid is Cc1ccc(S(=O)(=O)NC2CCC(C=CC(=O)O)C2)cc1.
What is the InChIKey of 3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid?
The InChIKey is GJVZQYZNULMJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-11-2-7-14(8-3-11)21(19,20)16-13-6-4-12(10-13)5-9-15(17)18/h2-3,5,7-9,12-13,16H,4,6,10H2,1H3,(H,17,18).
What are the key properties of 3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid?
3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid has a molecular weight of 309.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid is sourced from PubChem (CID 67899502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).