N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide

C15H13NO4S2 — CID 166521430

IUPACN-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cc1-c1ccco1)c1ccsc1
InChIInChI=1S/C15H13NO4S2/c17-9-11-3-4-14(13(8-11)15-2-1-6-20-15)16-22(18,19)12-5-7-21-10-12/h1-8,10,16-17H,9H2
InChIKeyMYCBYFMDNDUZAX-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide

N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide (PubChem CID 166521430) has the molecular formula C15H13NO4S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide
PubChem CID166521430
Molecular FormulaC15H13NO4S2
Molecular Weight335.41 g/mol
Exact Mass335.03
IUPAC NameN-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cc1-c1ccco1)c1ccsc1
InChIInChI=1S/C15H13NO4S2/c17-9-11-3-4-14(13(8-11)15-2-1-6-20-15)16-22(18,19)12-5-7-21-10-12/h1-8,10,16-17H,9H2
InChIKeyMYCBYFMDNDUZAX-UHFFFAOYSA-N
XLogP3.30
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 166521368
4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline
CID 167246079
3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid
CID 167245137
4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
CID 166521435
3,4-dimethoxy-5-(thiophen-3-ylsulfonylamino)benzoic acid
CID 167759672
2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
CID 166521361
N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 166521432
N-[4-(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]phenyl]-3,4-dimethylbenzenesulfonamide
CID 144649563
3-(furan-2-yl)-4-hydroxy-N-(3-sulfamoylphenyl)benzenesulfonamide
CID 168527507
N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178354
N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide
CID 166521441
methyl 4-[[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]sulfamoyl]benzoate
CID 90563586

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide (CID 166521430) is N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(CO)cc1-c1ccco1)c1ccsc1.
What is the InChIKey of N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide?
The InChIKey is MYCBYFMDNDUZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S2/c17-9-11-3-4-14(13(8-11)15-2-1-6-20-15)16-22(18,19)12-5-7-21-10-12/h1-8,10,16-17H,9H2.
What are the key properties of N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide?
N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide has a molecular weight of 335.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 166521430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).