methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate

C14H18ClNO4S — CID 103342269

IUPACmethyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H18ClNO4S/c1-9-6-7-10(15)8-12(9)16-21(18,19)13-5-3-4-11(13)14(17)20-2/h6-8,11,13,16H,3-5H2,1-2H3
InChIKeyBHHDPWAOLWBRBR-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.73
Rot. Bonds4

About methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342269) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342269
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Namemethyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H18ClNO4S/c1-9-6-7-10(15)8-12(9)16-21(18,19)13-5-3-4-11(13)14(17)20-2/h6-8,11,13,16H,3-5H2,1-2H3
InChIKeyBHHDPWAOLWBRBR-UHFFFAOYSA-N
XLogP2.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate 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

methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343259
methyl 2-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342312
methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103343173
methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342250
methyl 2-[(5-bromo-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342296
4-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058338
methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342929
methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342294
N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide
CID 115606541
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343368
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103342269) is methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is BHHDPWAOLWBRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-9-6-7-10(15)8-12(9)16-21(18,19)13-5-3-4-11(13)14(17)20-2/h6-8,11,13,16H,3-5H2,1-2H3.
What are the key properties of methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 331.82 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).