N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide

C18H23N3O5S3 — CID 4284114

IUPACN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1cccs1
InChIInChI=1S/C18H23N3O5S3/c22-28(23,18-4-3-13-27-18)19-16-14-15(5-6-17(16)20-7-1-2-8-20)29(24,25)21-9-11-26-12-10-21/h3-6,13-14,19H,1-2,7-12H2
InChIKeyKTXWKAKPOXCIRK-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.17
Rot. Bonds6

About N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide

N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide (PubChem CID 4284114) has the molecular formula C18H23N3O5S3 and a molecular weight of 457.60 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
PubChem CID4284114
Molecular FormulaC18H23N3O5S3
Molecular Weight457.60 g/mol
Exact Mass457.08
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1cccs1
InChIInChI=1S/C18H23N3O5S3/c22-28(23,18-4-3-13-27-18)19-16-14-15(5-6-17(16)20-7-1-2-8-20)29(24,25)21-9-11-26-12-10-21/h3-6,13-14,19H,1-2,7-12H2
InChIKeyKTXWKAKPOXCIRK-UHFFFAOYSA-N
XLogP2.17
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

MK6-83
CID 18191179
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5198517
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiophene-2-sulfonamide
CID 5217911
N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 7939270
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 16261541
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 16315480
[2-[2-(Diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 24817976
N-[2-(piperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 2814040
N-[4-(4-morpholinyl)phenyl]-2-thiophenesulfonamide
CID 779290
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide
CID 3917496
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]methanesulfonamide
CID 4427397
5-(4-Aminophenyl)sulfonyl-2-morpholin-4-ylaniline
CID 300090

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide (CID 4284114) is N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1cccs1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is KTXWKAKPOXCIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S3/c22-28(23,18-4-3-13-27-18)19-16-14-15(5-6-17(16)20-7-1-2-8-20)29(24,25)21-9-11-26-12-10-21/h3-6,13-14,19H,1-2,7-12H2.
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide?
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 457.60 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 4284114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).