5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide

C13H13ClN2O4S3 — CID 7483034

IUPAC5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2O4S3/c14-12-5-6-13(21-12)23(19,20)15-10-3-1-4-11(9-10)16-7-2-8-22(16,17)18/h1,3-6,9,15H,2,7-8H2
InChIKeyUWJHBYLUEZMHGN-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.74
Rot. Bonds4

About 5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 7483034) has the molecular formula C13H13ClN2O4S3 and a molecular weight of 392.91 g/mol. Its IUPAC name is 5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide
PubChem CID7483034
Molecular FormulaC13H13ClN2O4S3
Molecular Weight392.91 g/mol
Exact Mass391.97
IUPAC Name5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2O4S3/c14-12-5-6-13(21-12)23(19,20)15-10-3-1-4-11(9-10)16-7-2-8-22(16,17)18/h1,3-6,9,15H,2,7-8H2
InChIKeyUWJHBYLUEZMHGN-UHFFFAOYSA-N
XLogP2.74
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
CID 110361652
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide
CID 112505540
5-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636296
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7483043
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7635594
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclopentanesulfonamide
CID 110302255
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline
CID 110621354
[3-(1,1-dioxothiazinan-2-yl)phenyl]hydrazine
CID 82084710
3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide
CID 7584632
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 112503000
4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
CID 7517150
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide
CID 7483067

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide (CID 7483034) is 5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is UWJHBYLUEZMHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S3/c14-12-5-6-13(21-12)23(19,20)15-10-3-1-4-11(9-10)16-7-2-8-22(16,17)18/h1,3-6,9,15H,2,7-8H2.
What are the key properties of 5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 392.91 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7483034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).