N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide

C17H21ClN2O5S2 — CID 130338781

IUPACN-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)c(N2CCCS2(O)O)c1
InChIInChI=1S/C17H21ClN2O5S2/c1-12-4-7-16(25-2)17(10-12)27(23,24)19-13-5-6-14(18)15(11-13)20-8-3-9-26(20,21)22/h4-7,10-11,19,21-22H,3,8-9H2,1-2H3
InChIKeyIKSHHEVAFXZBGD-UHFFFAOYSA-N
MW432.95 g/mol
LogP4.33
Rot. Bonds5

About N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide

N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 130338781) has the molecular formula C17H21ClN2O5S2 and a molecular weight of 432.95 g/mol. Its IUPAC name is N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID130338781
Molecular FormulaC17H21ClN2O5S2
Molecular Weight432.95 g/mol
Exact Mass432.06
IUPAC NameN-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)c(N2CCCS2(O)O)c1
InChIInChI=1S/C17H21ClN2O5S2/c1-12-4-7-16(25-2)17(10-12)27(23,24)19-13-5-6-14(18)15(11-13)20-8-3-9-26(20,21)22/h4-7,10-11,19,21-22H,3,8-9H2,1-2H3
InChIKeyIKSHHEVAFXZBGD-UHFFFAOYSA-N
XLogP4.33
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 43955540
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 7482685
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 112505931
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methoxybenzenesulfonamide
CID 7483109
2-methoxy-5-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635810
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline
CID 110621319
2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide
CID 24629158
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]benzenesulfonamide
CID 112505930
2-methoxy-5-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16826959
N-[6-(azepan-1-yl)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113015954
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide
CID 7483111

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide (CID 130338781) is N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)c(N2CCCS2(O)O)c1.
What is the InChIKey of N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is IKSHHEVAFXZBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O5S2/c1-12-4-7-16(25-2)17(10-12)27(23,24)19-13-5-6-14(18)15(11-13)20-8-3-9-26(20,21)22/h4-7,10-11,19,21-22H,3,8-9H2,1-2H3.
What are the key properties of N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 432.95 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 130338781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).