N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide

C14H16N2O4S3 — CID 3430542

IUPACN-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccs1
InChIInChI=1S/C14H16N2O4S3/c17-22(18,14-7-4-10-21-14)15-12-5-3-6-13(11-12)23(19,20)16-8-1-2-9-16/h3-7,10-11,15H,1-2,8-9H2
InChIKeyWXMNCIKCDNGODW-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.33
Rot. Bonds5

About N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide

N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide (PubChem CID 3430542) has the molecular formula C14H16N2O4S3 and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
PubChem CID3430542
Molecular FormulaC14H16N2O4S3
Molecular Weight372.49 g/mol
Exact Mass372.03
IUPAC NameN-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccs1
InChIInChI=1S/C14H16N2O4S3/c17-22(18,14-7-4-10-21-14)15-12-5-3-6-13(11-12)23(19,20)16-8-1-2-9-16/h3-7,10-11,15H,1-2,8-9H2
InChIKeyWXMNCIKCDNGODW-UHFFFAOYSA-N
XLogP2.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide (CID 3430542) is N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccs1.
What is the InChIKey of N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
The InChIKey is WXMNCIKCDNGODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S3/c17-22(18,14-7-4-10-21-14)15-12-5-3-6-13(11-12)23(19,20)16-8-1-2-9-16/h3-7,10-11,15H,1-2,8-9H2.
What are the key properties of N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3430542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).