4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide

C12H16ClNO4S — CID 156608191

IUPAC4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2COCC2O)c(C)cc1Cl
InChIInChI=1S/C12H16ClNO4S/c1-7-4-12(8(2)3-9(7)13)19(16,17)14-10-5-18-6-11(10)15/h3-4,10-11,14-15H,5-6H2,1-2H3
InChIKeyFWZFLVYESXFXTB-UHFFFAOYSA-N
MW305.78 g/mol
LogP0.99
Rot. Bonds3

About 4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 156608191) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID156608191
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2COCC2O)c(C)cc1Cl
InChIInChI=1S/C12H16ClNO4S/c1-7-4-12(8(2)3-9(7)13)19(16,17)14-10-5-18-6-11(10)15/h3-4,10-11,14-15H,5-6H2,1-2H3
InChIKeyFWZFLVYESXFXTB-UHFFFAOYSA-N
XLogP0.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 22772557
4-chloro-2,5-dimethylbenzenesulfonohydrazide
CID 2799465
3-chloro-N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide
CID 91796047
4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682540
4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116281
2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 95984052
4-chloro-2,5-dimethylbenzenesulfonic acid
CID 14910662
4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66240671
1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene
CID 19736981
5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
CID 107213615
4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide
CID 22773548
1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol
CID 23853542

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide (CID 156608191) is 4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2COCC2O)c(C)cc1Cl.
What is the InChIKey of 4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is FWZFLVYESXFXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-7-4-12(8(2)3-9(7)13)19(16,17)14-10-5-18-6-11(10)15/h3-4,10-11,14-15H,5-6H2,1-2H3.
What are the key properties of 4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 305.78 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 156608191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).