N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide

C19H19NO4S2 — CID 73167915

IUPACN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(O)c3ccccc3)s2)cc1
InChIInChI=1S/C19H19NO4S2/c1-24-15-7-10-17(11-8-15)26(22,23)20-13-16-9-12-18(25-16)19(21)14-5-3-2-4-6-14/h2-12,19-21H,13H2,1H3
InChIKeyVPXWTHIBLJXERS-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.32
Rot. Bonds7

About N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 73167915) has the molecular formula C19H19NO4S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide
PubChem CID73167915
Molecular FormulaC19H19NO4S2
Molecular Weight389.50 g/mol
Exact Mass389.08
IUPAC NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(O)c3ccccc3)s2)cc1
InChIInChI=1S/C19H19NO4S2/c1-24-15-7-10-17(11-8-15)26(22,23)20-13-16-9-12-18(25-16)19(21)14-5-3-2-4-6-14/h2-12,19-21H,13H2,1H3
InChIKeyVPXWTHIBLJXERS-UHFFFAOYSA-N
XLogP3.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-propoxybenzenesulfonamide
CID 121134278
4-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167916
3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 72717773
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]ethanesulfonamide
CID 121134216
3-acetyl-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167918
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 121133566
4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 121134240
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-tert-butyl-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 90583643
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
N-(2-chloro-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 45101977

Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide (CID 73167915) is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(C(O)c3ccccc3)s2)cc1.
What is the InChIKey of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is VPXWTHIBLJXERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S2/c1-24-15-7-10-17(11-8-15)26(22,23)20-13-16-9-12-18(25-16)19(21)14-5-3-2-4-6-14/h2-12,19-21H,13H2,1H3.
What are the key properties of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide?
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 389.50 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 73167915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).