N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide

C14H18N2O5S3 — CID 8824209

IUPACN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H18N2O5S3/c1-4-21-12-8-7-11(10-13(12)24(19,20)16(2)3)15-23(17,18)14-6-5-9-22-14/h5-10,15H,4H2,1-3H3
InChIKeyAQMREFGUUUBOOD-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.20
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide (PubChem CID 8824209) has the molecular formula C14H18N2O5S3 and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide
PubChem CID8824209
Molecular FormulaC14H18N2O5S3
Molecular Weight390.51 g/mol
Exact Mass390.04
IUPAC NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H18N2O5S3/c1-4-21-12-8-7-11(10-13(12)24(19,20)16(2)3)15-23(17,18)14-6-5-9-22-14/h5-10,15H,4H2,1-3H3
InChIKeyAQMREFGUUUBOOD-UHFFFAOYSA-N
XLogP2.20
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide
CID 8519544
5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267785
5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 8840824
5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267806
5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 24502195
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 55566308
N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39678609
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide
CID 100830868

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide (CID 8824209) is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide?
The InChIKey is AQMREFGUUUBOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S3/c1-4-21-12-8-7-11(10-13(12)24(19,20)16(2)3)15-23(17,18)14-6-5-9-22-14/h5-10,15H,4H2,1-3H3.
What are the key properties of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide?
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 8824209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).