4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

C12H13NO3S2 — CID 2169350

IUPAC4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C12H13NO3S2/c1-16-10-4-6-12(7-5-10)18(14,15)13-9-11-3-2-8-17-11/h2-8,13H,9H2,1H3
InChIKeyLPTNMIMKCBXFQJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.24
Rot. Bonds5

About 4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 2169350) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID2169350
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC Name4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C12H13NO3S2/c1-16-10-4-6-12(7-5-10)18(14,15)13-9-11-3-2-8-17-11/h2-8,13H,9H2,1H3
InChIKeyLPTNMIMKCBXFQJ-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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Related Compounds

AL5927
CID 4316
1-[(4-Methoxyphenyl)sulfonyl]-2-(2-thienyl)pyrrolidine
CID 2805673
Thiophene-2-sulfonic acid 2-methoxy-benzylamide
CID 769085
2-Methoxy-5-methyl-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 6458154
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
4-(4-Methoxyphenyl)sulfonylthiophene-2-sulfonamide
CID 14642291
N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 769090
4-methoxy-N-{2-[(2-thienylmethyl)thio]ethyl}benzenesulfonamide
CID 2059861
3-bromo-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2452690
3,4-dimethoxy-N-[2-(phenylsulfonyl)-2-(2-thienyl)ethyl]benzenesulfonamide
CID 16032959
5-chloro-2-methoxy-N-(2-thienylmethyl)benzenesulfonamide
CID 1259451
N-cyclopentyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 665629

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 2169350) is 4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is LPTNMIMKCBXFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-16-10-4-6-12(7-5-10)18(14,15)13-9-11-3-2-8-17-11/h2-8,13H,9H2,1H3.
What are the key properties of 4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide 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 4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2169350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).