N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide

C10H13NO4S — CID 110732844

IUPACN-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H13NO4S/c1-16(12,13)11-9-4-2-8(3-5-9)10-14-6-7-15-10/h2-5,10-11H,6-7H2,1H3
InChIKeyVGKVIBWDKJEOAI-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.10
Rot. Bonds3

About N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide

N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide (PubChem CID 110732844) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide
PubChem CID110732844
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC NameN-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H13NO4S/c1-16(12,13)11-9-4-2-8(3-5-9)10-14-6-7-15-10/h2-5,10-11H,6-7H2,1H3
InChIKeyVGKVIBWDKJEOAI-UHFFFAOYSA-N
XLogP1.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide (CID 110732844) is N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2OCCO2)cc1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide?
The InChIKey is VGKVIBWDKJEOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-16(12,13)11-9-4-2-8(3-5-9)10-14-6-7-15-10/h2-5,10-11H,6-7H2,1H3.
What are the key properties of N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide?
N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide has a molecular weight of 243.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxolan-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 110732844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).