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

C12H13NO2S2 — CID 846309

IUPACN-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H13NO2S2/c1-10-5-2-3-6-11(10)9-13-17(14,15)12-7-4-8-16-12/h2-8,13H,9H2,1H3
InChIKeyUDHWMQBQPGHTBW-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.54
Rot. Bonds4

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

N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 846309) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID846309
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC NameN-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H13NO2S2/c1-10-5-2-3-6-11(10)9-13-17(14,15)12-7-4-8-16-12/h2-8,13H,9H2,1H3
InChIKeyUDHWMQBQPGHTBW-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide (CID 846309) is N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide is Cc1ccccc1CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is UDHWMQBQPGHTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-10-5-2-3-6-11(10)9-13-17(14,15)12-7-4-8-16-12/h2-8,13H,9H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 267.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 846309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).