N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide

C12H13NO3S2 — CID 769088

IUPACN-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C12H13NO3S2/c1-16-11-6-4-10(5-7-11)9-13-18(14,15)12-3-2-8-17-12/h2-8,13H,9H2,1H3
InChIKeyOQERIHUTBMWBGK-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.24
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide

N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 769088) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID769088
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC NameN-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C12H13NO3S2/c1-16-11-6-4-10(5-7-11)9-13-18(14,15)12-3-2-8-17-12/h2-8,13H,9H2,1H3
InChIKeyOQERIHUTBMWBGK-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
N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
5-[[4-(Trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide
CID 132819872
Thiophene-2-sulfonic acid 2-methoxy-benzylamide
CID 769085
N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 4782345
[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
2-Methoxy-5-methyl-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 6458154
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
5-(4-Methoxybenzylthio)thiophene-2-sulfonamide
CID 15599374
5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 2105632
N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 769090
4-methoxy-N-(2-thienylmethyl)benzenesulfonamide
CID 2169350

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 769088) is N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is OQERIHUTBMWBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-16-11-6-4-10(5-7-11)9-13-18(14,15)12-3-2-8-17-12/h2-8,13H,9H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
N-[(4-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-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 769088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).