methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate

C13H17ClN2O4S — CID 110626545

IUPACmethyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)NC2CCCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O4S/c1-20-13(17)11-8-10(6-7-12(11)14)16-21(18,19)15-9-4-2-3-5-9/h6-9,15-16H,2-5H2,1H3
InChIKeyBVTPUCWRRPFLSO-UHFFFAOYSA-N
MW332.81 g/mol
LogP2.32
Rot. Bonds5

About methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate

methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate (PubChem CID 110626545) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate
PubChem CID110626545
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Namemethyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)NC2CCCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O4S/c1-20-13(17)11-8-10(6-7-12(11)14)16-21(18,19)15-9-4-2-3-5-9/h6-9,15-16H,2-5H2,1H3
InChIKeyBVTPUCWRRPFLSO-UHFFFAOYSA-N
XLogP2.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate?
The IUPAC name of methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate (CID 110626545) is methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate.
What is the SMILES notation for methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate?
The canonical SMILES for methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate is COC(=O)c1cc(NS(=O)(=O)NC2CCCC2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate?
The InChIKey is BVTPUCWRRPFLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-20-13(17)11-8-10(6-7-12(11)14)16-21(18,19)15-9-4-2-3-5-9/h6-9,15-16H,2-5H2,1H3.
What are the key properties of methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate?
methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate has a molecular weight of 332.81 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate is sourced from PubChem (CID 110626545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).