N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide

C13H15NO3S2 — CID 110777538

IUPACN-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide
SMILESCOc1c(C)cc(C)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H15NO3S2/c1-9-7-10(2)13(17-3)11(8-9)14-19(15,16)12-5-4-6-18-12/h4-8,14H,1-3H3
InChIKeyYLKQKMUXRXIBJJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.17
Rot. Bonds4

About N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide

N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide (PubChem CID 110777538) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide
PubChem CID110777538
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide
SMILESCOc1c(C)cc(C)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H15NO3S2/c1-9-7-10(2)13(17-3)11(8-9)14-19(15,16)12-5-4-6-18-12/h4-8,14H,1-3H3
InChIKeyYLKQKMUXRXIBJJ-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
CID 19684078
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide
CID 110777550
N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide
CID 110604781
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
CID 16771255
N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 971680
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
2-methyl-6-(thiophen-2-ylsulfonylamino)benzenediazonium
CID 101027310

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide (CID 110777538) is N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide is COc1c(C)cc(C)cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide?
The InChIKey is YLKQKMUXRXIBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-9-7-10(2)13(17-3)11(8-9)14-19(15,16)12-5-4-6-18-12/h4-8,14H,1-3H3.
What are the key properties of N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide?
N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 110777538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).