N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide

C13H15NO4S2 — CID 18191077

IUPACN-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)s2)cc(OC)c1
InChIInChI=1S/C13H15NO4S2/c1-9-4-5-13(19-9)20(15,16)14-10-6-11(17-2)8-12(7-10)18-3/h4-8,14H,1-3H3
InChIKeyHJUZSRCPVDDTKZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.87
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide

N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide (PubChem CID 18191077) has the molecular formula C13H15NO4S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
PubChem CID18191077
Molecular FormulaC13H15NO4S2
Molecular Weight313.40 g/mol
Exact Mass313.04
IUPAC NameN-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)s2)cc(OC)c1
InChIInChI=1S/C13H15NO4S2/c1-9-4-5-13(19-9)20(15,16)14-10-6-11(17-2)8-12(7-10)18-3/h4-8,14H,1-3H3
InChIKeyHJUZSRCPVDDTKZ-UHFFFAOYSA-N
XLogP2.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 110777954
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide
CID 122287141
5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 47310549
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 6467501
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076709
4-amino-N-(3,5-dimethoxyphenyl)thiophene-2-sulfonamide
CID 61299375
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946
N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide
CID 28754838
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986153

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide (CID 18191077) is N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide is COc1cc(NS(=O)(=O)c2ccc(C)s2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is HJUZSRCPVDDTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S2/c1-9-4-5-13(19-9)20(15,16)14-10-6-11(17-2)8-12(7-10)18-3/h4-8,14H,1-3H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide?
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 18191077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).