N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide

C12H16N2O4S — CID 47154229

IUPACN-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)C1CC1C
InChIInChI=1S/C12H16N2O4S/c1-7-5-9(7)12(15)14-10-6-8(19(13,16)17)3-4-11(10)18-2/h3-4,6-7,9H,5H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyUCDGFCHSTZCMFL-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.94
Rot. Bonds4

About N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide

N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 47154229) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID47154229
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)C1CC1C
InChIInChI=1S/C12H16N2O4S/c1-7-5-9(7)12(15)14-10-6-8(19(13,16)17)3-4-11(10)18-2/h3-4,6-7,9H,5H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyUCDGFCHSTZCMFL-UHFFFAOYSA-N
XLogP0.94
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[(2-methoxy-5-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129365678
2-amino-N-(2-methoxy-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64822574
cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 7028753
cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663
(2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide
CID 104913098
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 134019095
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide
CID 43743918
trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide (CID 47154229) is N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)C1CC1C.
What is the InChIKey of N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is UCDGFCHSTZCMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-7-5-9(7)12(15)14-10-6-8(19(13,16)17)3-4-11(10)18-2/h3-4,6-7,9H,5H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide?
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47154229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).