4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide

C21H26N2O4S2 — CID 25420949

IUPAC4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H26N2O4S2/c24-28(25)16-4-15-23(28)20-11-9-19(10-12-20)22-29(26,27)21-13-7-18(8-14-21)17-5-2-1-3-6-17/h7-14,17,22H,1-6,15-16H2
InChIKeyGKBZRCARAUMYJS-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.07
Rot. Bonds5

About 4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide

4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide (PubChem CID 25420949) has the molecular formula C21H26N2O4S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
PubChem CID25420949
Molecular FormulaC21H26N2O4S2
Molecular Weight434.58 g/mol
Exact Mass434.13
IUPAC Name4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H26N2O4S2/c24-28(25)16-4-15-23(28)20-11-9-19(10-12-20)22-29(26,27)21-13-7-18(8-14-21)17-5-2-1-3-6-17/h7-14,17,22H,1-6,15-16H2
InChIKeyGKBZRCARAUMYJS-UHFFFAOYSA-N
XLogP4.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
CID 7517150
4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
CID 7517145
4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide
CID 20962759
N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline
CID 110622880
4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 25499358
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637
4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide
CID 95781125
4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7517162
4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7517163
3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide
CID 7584632
1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
CID 7584636
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 7482685

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide (CID 25420949) is 4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is GKBZRCARAUMYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S2/c24-28(25)16-4-15-23(28)20-11-9-19(10-12-20)22-29(26,27)21-13-7-18(8-14-21)17-5-2-1-3-6-17/h7-14,17,22H,1-6,15-16H2.
What are the key properties of 4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide?
4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 434.58 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25420949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).