5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide

C13H17ClN2O4S — CID 65374998

IUPAC5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide
SMILESCOc1c(C(=O)NC2CCCC2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C13H17ClN2O4S/c1-20-12-10(13(17)16-9-4-2-3-5-9)6-8(14)7-11(12)21(15,18)19/h6-7,9H,2-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyVRIBSBCPWNZFTM-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.67
Rot. Bonds4

About 5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide

5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide (PubChem CID 65374998) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide
PubChem CID65374998
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide
SMILESCOc1c(C(=O)NC2CCCC2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C13H17ClN2O4S/c1-20-12-10(13(17)16-9-4-2-3-5-9)6-8(14)7-11(12)21(15,18)19/h6-7,9H,2-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyVRIBSBCPWNZFTM-UHFFFAOYSA-N
XLogP1.67
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
CID 82891438
5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 65375386
5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide
CID 114267192
3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide
CID 65386150
5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide
CID 115408938
2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367156
5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide
CID 65387428
N-cyclopentyl-2,4-dimethyl-5-sulfamoylbenzamide
CID 47469038
oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate
CID 102608697
5-chloro-2-methyl-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551529
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide (CID 65374998) is 5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide is COc1c(C(=O)NC2CCCC2)cc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide?
The InChIKey is VRIBSBCPWNZFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-20-12-10(13(17)16-9-4-2-3-5-9)6-8(14)7-11(12)21(15,18)19/h6-7,9H,2-5H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide?
5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide has a molecular weight of 332.81 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide is sourced from PubChem (CID 65374998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).