N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide

C16H14N2O4S3 — CID 1092738

IUPACN-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C16H14N2O4S3/c19-24(20,17-13-5-2-1-3-6-13)15-10-8-14(9-11-15)18-25(21,22)16-7-4-12-23-16/h1-12,17-18H
InChIKeyDRLSRYSFWKCQNQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.35
Rot. Bonds6

About N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide

N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide (PubChem CID 1092738) has the molecular formula C16H14N2O4S3 and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide
PubChem CID1092738
Molecular FormulaC16H14N2O4S3
Molecular Weight394.50 g/mol
Exact Mass394.01
IUPAC NameN-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C16H14N2O4S3/c19-24(20,17-13-5-2-1-3-6-13)15-10-8-14(9-11-15)18-25(21,22)16-7-4-12-23-16/h1-12,17-18H
InChIKeyDRLSRYSFWKCQNQ-UHFFFAOYSA-N
XLogP3.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide (CID 1092738) is N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is DRLSRYSFWKCQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S3/c19-24(20,17-13-5-2-1-3-6-13)15-10-8-14(9-11-15)18-25(21,22)16-7-4-12-23-16/h1-12,17-18H.
What are the key properties of N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide?
N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 394.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 1092738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).