N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide

C14H15NO4S2 — CID 42933754

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C14H15NO4S2/c1-9-3-6-14(20-9)21(16,17)15-10(2)11-4-5-12-13(7-11)19-8-18-12/h3-7,10,15H,8H2,1-2H3
InChIKeyKLGVQTPPZMLMQH-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.82
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 42933754) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID42933754
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C14H15NO4S2/c1-9-3-6-14(20-9)21(16,17)15-10(2)11-4-5-12-13(7-11)19-8-18-12/h3-7,10,15H,8H2,1-2H3
InChIKeyKLGVQTPPZMLMQH-UHFFFAOYSA-N
XLogP2.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide
CID 22773282
N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 47109825
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluorobenzenesulfonamide
CID 18141997
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromobenzenesulfonamide
CID 51307602
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 27516973
N-[1-(1,3-benzodioxol-5-yl)ethyl]butane-1-sulfonamide
CID 22773283
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 43550425
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509
N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 18125828
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperazine-1-sulfonamide
CID 61253703
6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 95135138

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide (CID 42933754) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NC(C)c2ccc3c(c2)OCO3)s1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is KLGVQTPPZMLMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-9-3-6-14(20-9)21(16,17)15-10(2)11-4-5-12-13(7-11)19-8-18-12/h3-7,10,15H,8H2,1-2H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 325.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 42933754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).