N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide

C18H25N3O4S3 — CID 5217911

IUPACN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H25N3O4S3/c1-3-21(4-2)28(24,25)15-9-10-17(20-11-5-6-12-20)16(14-15)19-27(22,23)18-8-7-13-26-18/h7-10,13-14,19H,3-6,11-12H2,1-2H3
InChIKeyRYGANYPVTHTPCD-UHFFFAOYSA-N
MW443.62 g/mol
LogP3.18
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide (PubChem CID 5217911) has the molecular formula C18H25N3O4S3 and a molecular weight of 443.62 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide
PubChem CID5217911
Molecular FormulaC18H25N3O4S3
Molecular Weight443.62 g/mol
Exact Mass443.10
IUPAC NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H25N3O4S3/c1-3-21(4-2)28(24,25)15-9-10-17(20-11-5-6-12-20)16(14-15)19-27(22,23)18-8-7-13-26-18/h7-10,13-14,19H,3-6,11-12H2,1-2H3
InChIKeyRYGANYPVTHTPCD-UHFFFAOYSA-N
XLogP3.18
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

MK6-83
CID 18191179
N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 3430542
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
CID 4284114
3-(benzenesulfonamido)-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 4457031
1-(4-Methylsulfonyl-2-nitrophenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 16249454
N-[2-(piperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 2814040
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide
CID 3917496
N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 1021995
N-{2-[4-(Dimethylamino)phenyl]-2-(pyrrolidin-1-YL)ethyl}thiophene-2-sulfonamide
CID 20962695
N-(2-(4-(4-fluorophenyl)piperazin-1-yl)ethyl)thiophene-2-sulfonamide
CID 42267656
N-(2-(4-(2-fluorophenyl)piperazin-1-yl)ethyl)thiophene-2-sulfonamide
CID 42268111
1-Methyl-5-(thiophene-2-sulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 91911937

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide (CID 5217911) is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide?
The InChIKey is RYGANYPVTHTPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S3/c1-3-21(4-2)28(24,25)15-9-10-17(20-11-5-6-12-20)16(14-15)19-27(22,23)18-8-7-13-26-18/h7-10,13-14,19H,3-6,11-12H2,1-2H3.
What are the key properties of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide?
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide has a molecular weight of 443.62 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5217911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).