2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide

C16H13F2NO3S3 — CID 121133885

IUPAC2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccsc2)s1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO3S3/c17-11-1-3-13(18)15(7-11)25(21,22)19-8-12-2-4-14(24-12)16(20)10-5-6-23-9-10/h1-7,9,16,19-20H,8H2
InChIKeyUTCJIJBRQPSZTN-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.65
Rot. Bonds6

About 2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide

2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 121133885) has the molecular formula C16H13F2NO3S3 and a molecular weight of 401.48 g/mol. Its IUPAC name is 2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID121133885
Molecular FormulaC16H13F2NO3S3
Molecular Weight401.48 g/mol
Exact Mass401.00
IUPAC Name2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccsc2)s1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO3S3/c17-11-1-3-13(18)15(7-11)25(21,22)19-8-12-2-4-14(24-12)16(20)10-5-6-23-9-10/h1-7,9,16,19-20H,8H2
InChIKeyUTCJIJBRQPSZTN-UHFFFAOYSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 121133870
5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
CID 121133888
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 121133913
4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 121134240
2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 99882670
1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide
CID 121133907
4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 99882730
4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 97106538
3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 72717773
(E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide
CID 121133865
1-(2,6-difluorophenyl)-3-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]urea
CID 99882742
4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 99873374

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide (CID 121133885) is 2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(C(O)c2ccsc2)s1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is UTCJIJBRQPSZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3S3/c17-11-1-3-13(18)15(7-11)25(21,22)19-8-12-2-4-14(24-12)16(20)10-5-6-23-9-10/h1-7,9,16,19-20H,8H2.
What are the key properties of 2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 401.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121133885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).