methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate

C14H19NO5S — CID 65112879

IUPACmethyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C14H19NO5S/c1-20-13(16)11-4-6-12(7-5-11)21(18,19)15-10-14(17)8-2-3-9-14/h4-7,15,17H,2-3,8-10H2,1H3
InChIKeyJVLSNARUHGWCHU-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.06
Rot. Bonds5

About methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate

methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate (PubChem CID 65112879) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate
PubChem CID65112879
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C14H19NO5S/c1-20-13(16)11-4-6-12(7-5-11)21(18,19)15-10-14(17)8-2-3-9-14/h4-7,15,17H,2-3,8-10H2,1H3
InChIKeyJVLSNARUHGWCHU-UHFFFAOYSA-N
XLogP1.06
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride
CID 119958825
methyl 4-chloro-3-[(1-hydroxycyclobutyl)methylsulfamoyl]benzoate
CID 115754031
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
methyl 4-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methylsulfamoyl]benzoate
CID 95986142
4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65113107
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 65112746
methyl 4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]benzoate
CID 97414750
4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65481634
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279
methyl 4-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 65113818
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate?
The IUPAC name of methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate (CID 65112879) is methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1.
What is the InChIKey of methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate?
The InChIKey is JVLSNARUHGWCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-20-13(16)11-4-6-12(7-5-11)21(18,19)15-10-14(17)8-2-3-9-14/h4-7,15,17H,2-3,8-10H2,1H3.
What are the key properties of methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate?
methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate has a molecular weight of 313.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate is sourced from PubChem (CID 65112879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).