5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide

C15H21NO4S — CID 39450572

IUPAC5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)C2CC2)cc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C15H21NO4S/c1-10(2)9-16-21(18,19)14-8-12(6-7-13(14)20-3)15(17)11-4-5-11/h6-8,10-11,16H,4-5,9H2,1-3H3
InChIKeyCEWYFVOGOQUOOS-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.22
Rot. Bonds7

About 5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide

5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 39450572) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
PubChem CID39450572
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)C2CC2)cc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C15H21NO4S/c1-10(2)9-16-21(18,19)14-8-12(6-7-13(14)20-3)15(17)11-4-5-11/h6-8,10-11,16H,4-5,9H2,1-3H3
InChIKeyCEWYFVOGOQUOOS-UHFFFAOYSA-N
XLogP2.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide
CID 39416904
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide
CID 20649308
N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 110604225
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
3-[(4-hydroxy-2-methylbutyl)sulfamoyl]-4-methoxybenzoic acid
CID 66091999
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide
CID 39366211
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
3-(2,2-dimethylpropylsulfamoyl)-4-methoxybenzoic acid
CID 61168021
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192622
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide (CID 39450572) is 5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide is COc1ccc(C(=O)C2CC2)cc1S(=O)(=O)NCC(C)C.
What is the InChIKey of 5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is CEWYFVOGOQUOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-10(2)9-16-21(18,19)14-8-12(6-7-13(14)20-3)15(17)11-4-5-11/h6-8,10-11,16H,4-5,9H2,1-3H3.
What are the key properties of 5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 39450572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).