N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide

C16H13FN2O4S3 — CID 8505367

IUPACN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1NS(=O)(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O4S3/c17-12-7-9-13(10-8-12)25(20,21)18-14-4-1-2-5-15(14)19-26(22,23)16-6-3-11-24-16/h1-11,18-19H
InChIKeyDJDKFMBRTDNVSP-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.49
Rot. Bonds6

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

N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (PubChem CID 8505367) has the molecular formula C16H13FN2O4S3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
PubChem CID8505367
Molecular FormulaC16H13FN2O4S3
Molecular Weight412.49 g/mol
Exact Mass412.00
IUPAC NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1NS(=O)(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O4S3/c17-12-7-9-13(10-8-12)25(20,21)18-14-4-1-2-5-15(14)19-26(22,23)16-6-3-11-24-16/h1-11,18-19H
InChIKeyDJDKFMBRTDNVSP-UHFFFAOYSA-N
XLogP3.49
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dichloro-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970465
N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 70133210
5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 25352849
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-(2-tert-butylphenyl)thiophene-2-sulfonamide
CID 3861926
N-fluorothiophene-2-sulfonamide
CID 175398216
N-(3-fluoro-2-sulfamoylphenyl)thiophene-2-sulfonamide
CID 122150617
N-(5-fluoro-2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
CID 113092648
N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea
CID 25039011
N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2473604

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (CID 8505367) is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccccc1NS(=O)(=O)c1cccs1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The InChIKey is DJDKFMBRTDNVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4S3/c17-12-7-9-13(10-8-12)25(20,21)18-14-4-1-2-5-15(14)19-26(22,23)16-6-3-11-24-16/h1-11,18-19H.
What are the key properties of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide has a molecular weight of 412.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 8505367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).