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

C10H13NO4S — CID 18461628

IUPAC3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
SMILESCC1(c2cccc(S(N)(=O)=O)c2)OCCO1
InChIInChI=1S/C10H13NO4S/c1-10(14-5-6-15-10)8-3-2-4-9(7-8)16(11,12)13/h2-4,7H,5-6H2,1H3,(H2,11,12,13)
InChIKeyMOPIODPJNAHJCG-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.55
Rot. Bonds2

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

3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide (PubChem CID 18461628) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
PubChem CID18461628
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
SMILESCC1(c2cccc(S(N)(=O)=O)c2)OCCO1
InChIInChI=1S/C10H13NO4S/c1-10(14-5-6-15-10)8-3-2-4-9(7-8)16(11,12)13/h2-4,7H,5-6H2,1H3,(H2,11,12,13)
InChIKeyMOPIODPJNAHJCG-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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Related Compounds

ethane;3-(2-methyl-1,3-dioxolan-2-yl)aniline
CID 142184021
3-(1-aminocyclopropyl)benzenesulfonamide
CID 70895936
[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane
CID 88999598
2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane
CID 23439917
benzene-1,3-disulfonamide
CID 3090044
3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide
CID 175381972
3-methylbenzenesulfonamide
CID 69347063
3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
CID 174951467
2-(3-ethylsulfonylphenyl)-2-propyl-1,3-dioxolane
CID 83957461
3-methylsulfonylbenzenesulfonamide;hydrochloride
CID 172691071
2-ethyl-2-(3-propan-2-ylsulfonylphenyl)-1,3-dioxolane
CID 83957502
2-(3-bromo-4-ethylphenyl)-2-methyl-1,3-dioxolane
CID 83949811

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
The IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide (CID 18461628) is 3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide is CC1(c2cccc(S(N)(=O)=O)c2)OCCO1.
What is the InChIKey of 3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
The InChIKey is MOPIODPJNAHJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-10(14-5-6-15-10)8-3-2-4-9(7-8)16(11,12)13/h2-4,7H,5-6H2,1H3,(H2,11,12,13).
What are the key properties of 3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
3-(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 3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide is sourced from PubChem (CID 18461628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).