N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide

C15H20N2O4S3 — CID 5219048

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1C
InChIInChI=1S/C15H20N2O4S3/c1-4-17(5-2)24(20,21)14-11-13(9-8-12(14)3)16-23(18,19)15-7-6-10-22-15/h6-11,16H,4-5H2,1-3H3
InChIKeyPJZHPWTZFJHMRY-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.89
Rot. Bonds7

About N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide (PubChem CID 5219048) has the molecular formula C15H20N2O4S3 and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide
PubChem CID5219048
Molecular FormulaC15H20N2O4S3
Molecular Weight388.54 g/mol
Exact Mass388.06
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1C
InChIInChI=1S/C15H20N2O4S3/c1-4-17(5-2)24(20,21)14-11-13(9-8-12(14)3)16-23(18,19)15-7-6-10-22-15/h6-11,16H,4-5H2,1-3H3
InChIKeyPJZHPWTZFJHMRY-UHFFFAOYSA-N
XLogP2.89
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide (CID 5219048) is N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide?
The InChIKey is PJZHPWTZFJHMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S3/c1-4-17(5-2)24(20,21)14-11-13(9-8-12(14)3)16-23(18,19)15-7-6-10-22-15/h6-11,16H,4-5H2,1-3H3.
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide has a molecular weight of 388.54 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5219048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).