N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C14H18N2O6S2 — CID 21005629

IUPACN-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H18N2O6S2/c1-2-22-12-6-5-11(16-14(17)7-8-23(16,18)19)9-13(12)24(20,21)15-10-3-4-10/h5-6,9-10,15H,2-4,7-8H2,1H3
InChIKeyPEAJLYDPRDSJQJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.59
Rot. Bonds6

About N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 21005629) has the molecular formula C14H18N2O6S2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID21005629
Molecular FormulaC14H18N2O6S2
Molecular Weight374.44 g/mol
Exact Mass374.06
IUPAC NameN-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H18N2O6S2/c1-2-22-12-6-5-11(16-14(17)7-8-23(16,18)19)9-13(12)24(20,21)15-10-3-4-10/h5-6,9-10,15H,2-4,7-8H2,1H3
InChIKeyPEAJLYDPRDSJQJ-UHFFFAOYSA-N
XLogP0.59
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005669
2-ethoxy-N-(4-fluorophenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005695
N-[3-(dimethylamino)propyl]-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005642
2-ethoxy-N-(2-ethyl-6-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005687
N-(2,4-difluorophenyl)-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005723
N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 39776404
2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005717
N-(2-ethoxyphenyl)-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694559
2-methoxy-N-propan-2-yl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694392
ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 22694953
N-[(2S)-butan-2-yl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42342558
5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651368

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 21005629) is N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is PEAJLYDPRDSJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S2/c1-2-22-12-6-5-11(16-14(17)7-8-23(16,18)19)9-13(12)24(20,21)15-10-3-4-10/h5-6,9-10,15H,2-4,7-8H2,1H3.
What are the key properties of N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 374.44 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 21005629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).