N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide

C19H21FN2O4S — CID 68582999

IUPACN-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NC1C(c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C19H21FN2O4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)22-18(23)14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)(H2,21,24,25)
InChIKeyDXYVRIZDAZWCID-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.40
Rot. Bonds5

About N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide

N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide (PubChem CID 68582999) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide
PubChem CID68582999
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NC1C(c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C19H21FN2O4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)22-18(23)14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)(H2,21,24,25)
InChIKeyDXYVRIZDAZWCID-UHFFFAOYSA-N
XLogP2.40
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide
CID 25222733
N-[(3R)-3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]-2-methoxy-5-methylbenzamide
CID 143783759
2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide
CID 68584463
N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide
CID 68582394
N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide
CID 68582335
N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
CID 68582129
5-chloro-N-[(1S,3S)-2,2-dimethyl-3-[4-(methylsulfamoyl)phenyl]cyclopropyl]-2,4-dimethoxybenzamide
CID 68581962
4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 129160441
5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
CID 68582257
N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55947717
3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 7964817
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 35606335

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide (CID 68582999) is N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NC1C(c2ccc(S(N)(=O)=O)cc2)C1(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide?
The InChIKey is DXYVRIZDAZWCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)22-18(23)14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)(H2,21,24,25).
What are the key properties of N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide?
N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide has a molecular weight of 392.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 68582999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).