5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide

C11H14ClFN2O4S — CID 114267192

IUPAC5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide
SMILESCOc1c(C(=O)NCCCF)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C11H14ClFN2O4S/c1-19-10-8(11(16)15-4-2-3-13)5-7(12)6-9(10)20(14,17)18/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyKEDNQWJMRLDUPN-UHFFFAOYSA-N
MW324.76 g/mol
LogP1.09
Rot. Bonds6

About 5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide

5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide (PubChem CID 114267192) has the molecular formula C11H14ClFN2O4S and a molecular weight of 324.76 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide
PubChem CID114267192
Molecular FormulaC11H14ClFN2O4S
Molecular Weight324.76 g/mol
Exact Mass324.03
IUPAC Name5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide
SMILESCOc1c(C(=O)NCCCF)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C11H14ClFN2O4S/c1-19-10-8(11(16)15-4-2-3-13)5-7(12)6-9(10)20(14,17)18/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyKEDNQWJMRLDUPN-UHFFFAOYSA-N
XLogP1.09
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 65375386
5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide
CID 115408938
5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367857
5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide
CID 65374998
5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide
CID 65387428
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766713
pentan-2-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate
CID 102988512
3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide
CID 65373435
5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
CID 104766748
3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120893948
5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide (CID 114267192) is 5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide is COc1c(C(=O)NCCCF)cc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide?
The InChIKey is KEDNQWJMRLDUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O4S/c1-19-10-8(11(16)15-4-2-3-13)5-7(12)6-9(10)20(14,17)18/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide?
5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide has a molecular weight of 324.76 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide is sourced from PubChem (CID 114267192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).