N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide

C11H13FN2O3S — CID 60727294

IUPACN-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)NCC2CC2)c1
InChIInChI=1S/C11H13FN2O3S/c12-10-4-3-8(18(13,16)17)5-9(10)11(15)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,14,15)(H2,13,16,17)
InChIKeyBKEDSKWAMLQUIZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.61
Rot. Bonds4

About N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide

N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide (PubChem CID 60727294) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
PubChem CID60727294
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)NCC2CC2)c1
InChIInChI=1S/C11H13FN2O3S/c12-10-4-3-8(18(13,16)17)5-9(10)11(15)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,14,15)(H2,13,16,17)
InChIKeyBKEDSKWAMLQUIZ-UHFFFAOYSA-N
XLogP0.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
2-cyclopropylethyl 2-fluoro-5-sulfamoylbenzoate
CID 113246509
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
2-chloro-N-[(3-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
CID 107415687
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 74236642
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide
CID 65373693
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide
CID 103991189
2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528381
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 81453179

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide (CID 60727294) is N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(F)c(C(=O)NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide?
The InChIKey is BKEDSKWAMLQUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-10-4-3-8(18(13,16)17)5-9(10)11(15)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,14,15)(H2,13,16,17).
What are the key properties of N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide?
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide has a molecular weight of 272.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 60727294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).