5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide

C14H19NO4S — CID 39416904

IUPAC5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)C2CC2)ccc1OC
InChIInChI=1S/C14H19NO4S/c1-3-8-15-20(17,18)13-9-11(6-7-12(13)19-2)14(16)10-4-5-10/h6-7,9-10,15H,3-5,8H2,1-2H3
InChIKeyWJKJSZXBVLQBNK-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.98
Rot. Bonds7

About 5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide

5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide (PubChem CID 39416904) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide
PubChem CID39416904
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)C2CC2)ccc1OC
InChIInChI=1S/C14H19NO4S/c1-3-8-15-20(17,18)13-9-11(6-7-12(13)19-2)14(16)10-4-5-10/h6-7,9-10,15H,3-5,8H2,1-2H3
InChIKeyWJKJSZXBVLQBNK-UHFFFAOYSA-N
XLogP1.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 39450572
2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide
CID 39454552
5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide
CID 39366211
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988
N-(3,5-dichlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892393
4-methoxy-N-(2-methoxy-5-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 18892416
4-methoxy-3-(propylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43873999
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
4-methoxy-N-(3-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 18892405
N-(4-ethoxyphenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892408
N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 110604225

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide?
The IUPAC name of 5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide (CID 39416904) is 5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide?
The canonical SMILES for 5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(C(=O)C2CC2)ccc1OC.
What is the InChIKey of 5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide?
The InChIKey is WJKJSZXBVLQBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-8-15-20(17,18)13-9-11(6-7-12(13)19-2)14(16)10-4-5-10/h6-7,9-10,15H,3-5,8H2,1-2H3.
What are the key properties of 5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide?
5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.98, 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-propylbenzenesulfonamide is sourced from PubChem (CID 39416904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).