N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide

C12H17ClN2O4S2 — CID 7627410

IUPACN-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O4S2/c1-9(2)21(18,19)14-12-5-4-10(8-11(12)13)15-6-3-7-20(15,16)17/h4-5,8-9,14H,3,6-7H2,1-2H3
InChIKeyOOQZJOVLZGUABF-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.03
Rot. Bonds4

About N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide

N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide (PubChem CID 7627410) has the molecular formula C12H17ClN2O4S2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
PubChem CID7627410
Molecular FormulaC12H17ClN2O4S2
Molecular Weight352.87 g/mol
Exact Mass352.03
IUPAC NameN-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O4S2/c1-9(2)21(18,19)14-12-5-4-10(8-11(12)13)15-6-3-7-20(15,16)17/h4-5,8-9,14H,3,6-7H2,1-2H3
InChIKeyOOQZJOVLZGUABF-UHFFFAOYSA-N
XLogP2.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide
CID 7627398
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide
CID 7627402
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]propane-2-sulfonamide
CID 7635616
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7635594
[2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7482876
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 112505889
3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482859
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide
CID 110623153
ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate
CID 7482878
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 7482855
benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
CID 7482889
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 7483062

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide (CID 7627410) is N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide?
The InChIKey is OOQZJOVLZGUABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S2/c1-9(2)21(18,19)14-12-5-4-10(8-11(12)13)15-6-3-7-20(15,16)17/h4-5,8-9,14H,3,6-7H2,1-2H3.
What are the key properties of N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide?
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide has a molecular weight of 352.87 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 7627410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).