2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide

C15H22ClN3O4S2 — CID 22760409

IUPAC2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide
SMILESC/N=C1\SCC(O)(c2ccc(Cl)c(S(=O)(=O)NCC(C)OC)c2)N1C
InChIInChI=1S/C15H22ClN3O4S2/c1-10(23-4)8-18-25(21,22)13-7-11(5-6-12(13)16)15(20)9-24-14(17-2)19(15)3/h5-7,10,18,20H,8-9H2,1-4H3/b17-14-
InChIKeyPNMDSTBGGXXYQH-VKAVYKQESA-N
MW407.95 g/mol
LogP1.46
Rot. Bonds6

About 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide

2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide (PubChem CID 22760409) has the molecular formula C15H22ClN3O4S2 and a molecular weight of 407.95 g/mol. Its IUPAC name is 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide
PubChem CID22760409
Molecular FormulaC15H22ClN3O4S2
Molecular Weight407.95 g/mol
Exact Mass407.07
IUPAC Name2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide
SMILESC/N=C1\SCC(O)(c2ccc(Cl)c(S(=O)(=O)NCC(C)OC)c2)N1C
InChIInChI=1S/C15H22ClN3O4S2/c1-10(23-4)8-18-25(21,22)13-7-11(5-6-12(13)16)15(20)9-24-14(17-2)19(15)3/h5-7,10,18,20H,8-9H2,1-4H3/b17-14-
InChIKeyPNMDSTBGGXXYQH-VKAVYKQESA-N
XLogP1.46
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide
CID 22760454
(Z)-but-2-enedioate;2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 131710962
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide
CID 102701595
N-benzyl-2-chloro-5-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756422
2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide
CID 70618073
2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride
CID 54116967
2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756390
2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 22760586
[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium
CID 21316692
2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 20527332
2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride
CID 22760584

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide (CID 22760409) is 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide is C/N=C1\SCC(O)(c2ccc(Cl)c(S(=O)(=O)NCC(C)OC)c2)N1C.
What is the InChIKey of 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide?
The InChIKey is PNMDSTBGGXXYQH-VKAVYKQESA-N. The full InChI is InChI=1S/C15H22ClN3O4S2/c1-10(23-4)8-18-25(21,22)13-7-11(5-6-12(13)16)15(20)9-24-14(17-2)19(15)3/h5-7,10,18,20H,8-9H2,1-4H3/b17-14-.
What are the key properties of 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide?
2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide has a molecular weight of 407.95 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 22760409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).