5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide

C13H17NO3S — CID 39366211

IUPAC5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C(=O)C2CC2)ccc1C
InChIInChI=1S/C13H17NO3S/c1-3-14-18(16,17)12-8-11(5-4-9(12)2)13(15)10-6-7-10/h4-5,8,10,14H,3,6-7H2,1-2H3
InChIKeySTZBGQQOWOGZSZ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.89
Rot. Bonds5

About 5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide

5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide (PubChem CID 39366211) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide
PubChem CID39366211
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C(=O)C2CC2)ccc1C
InChIInChI=1S/C13H17NO3S/c1-3-14-18(16,17)12-8-11(5-4-9(12)2)13(15)10-6-7-10/h4-5,8,10,14H,3,6-7H2,1-2H3
InChIKeySTZBGQQOWOGZSZ-UHFFFAOYSA-N
XLogP1.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide
CID 39416904
5-acetyl-2-methyl-N-propylbenzenesulfonamide
CID 39357440
5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 39450572
N,2-dimethyl-5-propanoylbenzenesulfonamide
CID 82044488
ethyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 120708944
4-methyl-3-[2-(oxan-4-yl)prop-2-enylsulfamoyl]benzoic acid
CID 166267299
3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate
CID 7024656
ethyl 4-(ethylsulfamoyl)-3-methylbenzoate
CID 54478555
4-methyl-3-(octylsulfamoyl)benzoic acid
CID 100820248
3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid
CID 60715494
methyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62541476
4-methyl-3-(oxolan-3-ylmethylsulfamoyl)benzoic acid
CID 60920449

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide (CID 39366211) is 5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide is CCNS(=O)(=O)c1cc(C(=O)C2CC2)ccc1C.
What is the InChIKey of 5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide?
The InChIKey is STZBGQQOWOGZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-3-14-18(16,17)12-8-11(5-4-9(12)2)13(15)10-6-7-10/h4-5,8,10,14H,3,6-7H2,1-2H3.
What are the key properties of 5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide?
5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 39366211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).