N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide

C11H9NO4S2 — CID 651313

IUPACN-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1cccs1
InChIInChI=1S/C11H9NO4S2/c13-18(14,11-2-1-5-17-11)12-8-3-4-9-10(6-8)16-7-15-9/h1-6,12H,7H2
InChIKeyAMCBPKMBXSZUQK-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.28
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide

N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide (PubChem CID 651313) has the molecular formula C11H9NO4S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
PubChem CID651313
Molecular FormulaC11H9NO4S2
Molecular Weight283.33 g/mol
Exact Mass283.00
IUPAC NameN-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1cccs1
InChIInChI=1S/C11H9NO4S2/c13-18(14,11-2-1-5-17-11)12-8-3-4-9-10(6-8)16-7-15-9/h1-6,12H,7H2
InChIKeyAMCBPKMBXSZUQK-UHFFFAOYSA-N
XLogP2.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46487765
N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285209
N-[3-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]thiophene-2-sulfonamide
CID 46387965
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 43332813
N-(1,3-benzodioxol-5-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285285
N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 2474123
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide
CID 110778416
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 97042808
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 71804346

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide (CID 651313) is N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1cccs1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide?
The InChIKey is AMCBPKMBXSZUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S2/c13-18(14,11-2-1-5-17-11)12-8-3-4-9-10(6-8)16-7-15-9/h1-6,12H,7H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide?
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide has a molecular weight of 283.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 651313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).