N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide

C13H17FN2O4S — CID 65387046

IUPACN-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
SMILESCOc1c(F)cc(C(=O)N(C)CC2CC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H17FN2O4S/c1-16(7-8-3-4-8)13(17)9-5-10(14)12(20-2)11(6-9)21(15,18)19/h5-6,8H,3-4,7H2,1-2H3,(H2,15,18,19)
InChIKeyJKDRDJACAHPSQW-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.96
Rot. Bonds5

About N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide

N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide (PubChem CID 65387046) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
PubChem CID65387046
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
SMILESCOc1c(F)cc(C(=O)N(C)CC2CC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H17FN2O4S/c1-16(7-8-3-4-8)13(17)9-5-10(14)12(20-2)11(6-9)21(15,18)19/h5-6,8H,3-4,7H2,1-2H3,(H2,15,18,19)
InChIKeyJKDRDJACAHPSQW-UHFFFAOYSA-N
XLogP0.96
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
CID 65388145
5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide
CID 65387428
2-bromo-5-[cyclopropylmethyl(methyl)carbamoyl]-3-fluorobenzenesulfonyl chloride
CID 65372891
N-(cyclobutylmethyl)-N,4-dimethyl-3-sulfamoylbenzamide
CID 65387895
3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371862
tert-butyl 3-fluoro-4-methoxy-5-sulfamoylbenzoate
CID 65382033
3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide
CID 65373435
5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 65372377
N-(cyclopentylmethyl)-3,5-difluoro-4-hydrazinyl-N-methylbenzamide
CID 63656584
butan-2-yl 3-fluoro-4-methoxy-5-sulfamoylbenzoate
CID 65380012
N-(cyclopropylmethyl)-N,5-dimethyl-4-sulfamoylfuran-2-carboxamide
CID 65386276
N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65389043

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide (CID 65387046) is N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide is COc1c(F)cc(C(=O)N(C)CC2CC2)cc1S(N)(=O)=O.
What is the InChIKey of N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide?
The InChIKey is JKDRDJACAHPSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-16(7-8-3-4-8)13(17)9-5-10(14)12(20-2)11(6-9)21(15,18)19/h5-6,8H,3-4,7H2,1-2H3,(H2,15,18,19).
What are the key properties of N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide?
N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide has a molecular weight of 316.35 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65387046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).