N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide

C13H17NO4S — CID 110872894

IUPACN-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide
SMILESCC(C)N(C1CC1)S(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H17NO4S/c1-9(2)14(10-3-4-10)19(15,16)11-5-6-12-13(7-11)18-8-17-12/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyOHYPBMUYUJJURC-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.98
Rot. Bonds4

About N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide

N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide (PubChem CID 110872894) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide
PubChem CID110872894
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide
SMILESCC(C)N(C1CC1)S(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H17NO4S/c1-9(2)14(10-3-4-10)19(15,16)11-5-6-12-13(7-11)18-8-17-12/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyOHYPBMUYUJJURC-UHFFFAOYSA-N
XLogP1.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 71896602
N-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-1,3-benzodioxole-5-sulfonamide
CID 91511303
N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine
CID 117036355
2-(1,3-benzodioxol-5-ylsulfonyl)propanoic acid
CID 82020953
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55060783
N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2142659
2-(1,3-benzodioxol-5-ylsulfonyl)-3-methylbutanenitrile
CID 117037809
N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide
CID 3750088
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6600832
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847
N-benzyl-N-(1-cyclopropylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 74614197

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide (CID 110872894) is N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide is CC(C)N(C1CC1)S(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide?
The InChIKey is OHYPBMUYUJJURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9(2)14(10-3-4-10)19(15,16)11-5-6-12-13(7-11)18-8-17-12/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide?
N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110872894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).