N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide

C12H13NO3S2 — CID 769085

IUPACN-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H13NO3S2/c1-16-11-6-3-2-5-10(11)9-13-18(14,15)12-7-4-8-17-12/h2-8,13H,9H2,1H3
InChIKeyIKDVWECTXKSNKL-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.24
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide

N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 769085) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID769085
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC NameN-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H13NO3S2/c1-16-11-6-3-2-5-10(11)9-13-18(14,15)12-7-4-8-17-12/h2-8,13H,9H2,1H3
InChIKeyIKDVWECTXKSNKL-UHFFFAOYSA-N
XLogP2.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 769085) is N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1ccccc1CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is IKDVWECTXKSNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-16-11-6-3-2-5-10(11)9-13-18(14,15)12-7-4-8-17-12/h2-8,13H,9H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 283.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 769085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).