1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid

C14H20N2O4S — CID 115450505

IUPAC1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid
SMILESCCCNS(=O)(=O)c1ccc(NCC2(C(=O)O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-2-9-16-21(19,20)12-5-3-11(4-6-12)15-10-14(7-8-14)13(17)18/h3-6,15-16H,2,7-10H2,1H3,(H,17,18)
InChIKeyHGGYGLMWCKQJPC-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.65
Rot. Bonds8

About 1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid

1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450505) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450505
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid
SMILESCCCNS(=O)(=O)c1ccc(NCC2(C(=O)O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-2-9-16-21(19,20)12-5-3-11(4-6-12)15-10-14(7-8-14)13(17)18/h3-6,15-16H,2,7-10H2,1H3,(H,17,18)
InChIKeyHGGYGLMWCKQJPC-UHFFFAOYSA-N
XLogP1.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450108
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
1-[[(3,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450138
1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312097
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
CID 62146441
N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115360710
1-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 34175638
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
1-[[(3-fluoro-4-methylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450133
N-[4-(propylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2987866

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid (CID 115450505) is 1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid is CCCNS(=O)(=O)c1ccc(NCC2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is HGGYGLMWCKQJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-9-16-21(19,20)12-5-3-11(4-6-12)15-10-14(7-8-14)13(17)18/h3-6,15-16H,2,7-10H2,1H3,(H,17,18).
What are the key properties of 1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid?
1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).