2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide

C12H16ClFN2O4S — CID 81454215

IUPAC2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(COC)NC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl
InChIInChI=1S/C12H16ClFN2O4S/c1-3-7(6-20-2)16-12(17)9-4-8(21(15,18)19)5-10(14)11(9)13/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyRZENLPWMOAICES-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.28
Rot. Bonds6

About 2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide

2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide (PubChem CID 81454215) has the molecular formula C12H16ClFN2O4S and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
PubChem CID81454215
Molecular FormulaC12H16ClFN2O4S
Molecular Weight338.79 g/mol
Exact Mass338.05
IUPAC Name2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(COC)NC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl
InChIInChI=1S/C12H16ClFN2O4S/c1-3-7(6-20-2)16-12(17)9-4-8(21(15,18)19)5-10(14)11(9)13/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyRZENLPWMOAICES-UHFFFAOYSA-N
XLogP1.28
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65379978
2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 64688965
2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 81454798
4-methylpentyl 2-chloro-3-fluoro-5-sulfamoylbenzoate
CID 81454421
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81453681
3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide
CID 65382617
4-chloro-3-fluoro-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 81453450
2-bromo-3-fluoro-5-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65398809
4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
CID 82832518
2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 81461406
2-chloro-3-fluoro-5-(2-methoxyethylsulfonyl)benzoic acid
CID 81460955

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide (CID 81454215) is 2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide is CCC(COC)NC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is RZENLPWMOAICES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O4S/c1-3-7(6-20-2)16-12(17)9-4-8(21(15,18)19)5-10(14)11(9)13/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide?
2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 338.79 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 81454215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).