4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C13H18ClNO3S — CID 91915506

IUPAC4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)CC1CCOC1
InChIInChI=1S/C13H18ClNO3S/c1-10-7-12(14)3-4-13(10)19(16,17)15(2)8-11-5-6-18-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyGSYHMTITIWNLSS-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.31
Rot. Bonds4

About 4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 91915506) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID91915506
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)CC1CCOC1
InChIInChI=1S/C13H18ClNO3S/c1-10-7-12(14)3-4-13(10)19(16,17)15(2)8-11-5-6-18-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyGSYHMTITIWNLSS-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 91915506) is 4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)N(C)CC1CCOC1.
What is the InChIKey of 4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is GSYHMTITIWNLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-10-7-12(14)3-4-13(10)19(16,17)15(2)8-11-5-6-18-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3.
What are the key properties of 4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 91915506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).