N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

C12H13NO2S2 — CID 2811533

IUPACN-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H13NO2S2/c1-10-7-8-16-12(10)9-13-17(14,15)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3
InChIKeySHWJTMQZRWGXSG-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.54
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 2811533) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID2811533
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H13NO2S2/c1-10-7-8-16-12(10)9-13-17(14,15)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3
InChIKeySHWJTMQZRWGXSG-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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Related Compounds

3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 71997703
2-methyl-4-[(3-methylthiophen-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 106920293
4-methyl-3-[(3-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 112726216
2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 78997965
2-[(diethylsulfamoylamino)methyl]-3-methylthiophene
CID 35610330
N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 79471456
3-amino-N-[(3-methylthiophen-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 115993741
1-[2-(benzenesulfonyl)ethyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893796
N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide
CID 103306549
5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 35609931
3-bromo-5-(hydroxymethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 81480783
5-amino-N-[(3-methylthiophen-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80747034

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 2811533) is N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1ccsc1CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is SHWJTMQZRWGXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-10-7-8-16-12(10)9-13-17(14,15)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide 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-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2811533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).