4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide

C10H13NO4S — CID 154122585

IUPAC4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
SMILESCC1(c2ccc(S(N)(=O)=O)cc2)OCCO1
InChIInChI=1S/C10H13NO4S/c1-10(14-6-7-15-10)8-2-4-9(5-3-8)16(11,12)13/h2-5H,6-7H2,1H3,(H2,11,12,13)
InChIKeyDLCJHZJPHTYOFI-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.55
Rot. Bonds2

About 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide

4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide (PubChem CID 154122585) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
PubChem CID154122585
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
SMILESCC1(c2ccc(S(N)(=O)=O)cc2)OCCO1
InChIInChI=1S/C10H13NO4S/c1-10(14-6-7-15-10)8-2-4-9(5-3-8)16(11,12)13/h2-5H,6-7H2,1H3,(H2,11,12,13)
InChIKeyDLCJHZJPHTYOFI-UHFFFAOYSA-N
XLogP0.55
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide (CID 154122585) is 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide is CC1(c2ccc(S(N)(=O)=O)cc2)OCCO1.
What is the InChIKey of 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
The InChIKey is DLCJHZJPHTYOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-10(14-6-7-15-10)8-2-4-9(5-3-8)16(11,12)13/h2-5H,6-7H2,1H3,(H2,11,12,13).
What are the key properties of 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide has a molecular weight of 243.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide is sourced from PubChem (CID 154122585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).