2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C19H20ClN3O6S2 — CID 20997050

IUPAC2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(Cl)c2)C1=O
InChIInChI=1S/C19H20ClN3O6S2/c1-12-11-30(26,27)23(19(12)25)14-4-7-16(17(20)10-14)18(24)22-9-8-13-2-5-15(6-3-13)31(21,28)29/h2-7,10,12H,8-9,11H2,1H3,(H,22,24)(H2,21,28,29)
InChIKeyCYDGYCDNMNVDPQ-UHFFFAOYSA-N
MW485.97 g/mol
LogP1.27
Rot. Bonds6

About 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 20997050) has the molecular formula C19H20ClN3O6S2 and a molecular weight of 485.97 g/mol. Its IUPAC name is 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID20997050
Molecular FormulaC19H20ClN3O6S2
Molecular Weight485.97 g/mol
Exact Mass485.05
IUPAC Name2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(Cl)c2)C1=O
InChIInChI=1S/C19H20ClN3O6S2/c1-12-11-30(26,27)23(19(12)25)14-4-7-16(17(20)10-14)18(24)22-9-8-13-2-5-15(6-3-13)31(21,28)29/h2-7,10,12H,8-9,11H2,1H3,(H,22,24)(H2,21,28,29)
InChIKeyCYDGYCDNMNVDPQ-UHFFFAOYSA-N
XLogP1.27
TPSA143.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.97
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 26824231
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997051
2-chloro-N-[(4-methoxyphenyl)methyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833586
N-[2-(4-fluorophenyl)ethyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349725
2-chloro-N-(3,4-dimethylphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997077
2-chloro-N-(3,4-dimethylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833655
2-chloro-N-(4-chloro-2-methylphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007276
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007345
2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293779
N-[2-(3-methylphenyl)ethyl]-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110307638
N-[(4-chlorophenyl)methyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824193
N-[2-(4-chlorophenyl)ethyl]-2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 20997050) is 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is CC1CS(=O)(=O)N(c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(Cl)c2)C1=O.
What is the InChIKey of 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is CYDGYCDNMNVDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O6S2/c1-12-11-30(26,27)23(19(12)25)14-4-7-16(17(20)10-14)18(24)22-9-8-13-2-5-15(6-3-13)31(21,28)29/h2-7,10,12H,8-9,11H2,1H3,(H,22,24)(H2,21,28,29).
What are the key properties of 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 485.97 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 20997050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).