2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide

C15H18Cl2N2O4S3 — CID 55365500

IUPAC2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1C
InChIInChI=1S/C15H18Cl2N2O4S3/c1-4-19(5-2)26(22,23)12-8-11(7-6-10(12)3)18-25(20,21)13-9-14(16)24-15(13)17/h6-9,18H,4-5H2,1-3H3
InChIKeyFUGXEBHNLMUSOJ-UHFFFAOYSA-N
MW457.43 g/mol
LogP4.19
Rot. Bonds7

About 2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide

2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide (PubChem CID 55365500) has the molecular formula C15H18Cl2N2O4S3 and a molecular weight of 457.43 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide
PubChem CID55365500
Molecular FormulaC15H18Cl2N2O4S3
Molecular Weight457.43 g/mol
Exact Mass455.98
IUPAC Name2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1C
InChIInChI=1S/C15H18Cl2N2O4S3/c1-4-19(5-2)26(22,23)12-8-11(7-6-10(12)3)18-25(20,21)13-9-14(16)24-15(13)17/h6-9,18H,4-5H2,1-3H3
InChIKeyFUGXEBHNLMUSOJ-UHFFFAOYSA-N
XLogP4.19
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide (CID 55365500) is 2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide is CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1C.
What is the InChIKey of 2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide?
The InChIKey is FUGXEBHNLMUSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4S3/c1-4-19(5-2)26(22,23)12-8-11(7-6-10(12)3)18-25(20,21)13-9-14(16)24-15(13)17/h6-9,18H,4-5H2,1-3H3.
What are the key properties of 2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide has a molecular weight of 457.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 55365500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).