N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide

C20H18FNO4S — CID 25098084

IUPACN-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)c(CO)c1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FNO4S/c21-18-6-1-14(2-7-18)15-4-9-20(10-5-15)27(25,26)22-19-8-3-16(12-23)17(11-19)13-24/h1-11,22-24H,12-13H2
InChIKeyTYUVTDPQVAYGMP-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.28
Rot. Bonds6

About N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide

N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide (PubChem CID 25098084) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide
PubChem CID25098084
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC NameN-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)c(CO)c1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FNO4S/c21-18-6-1-14(2-7-18)15-4-9-20(10-5-15)27(25,26)22-19-8-3-16(12-23)17(11-19)13-24/h1-11,22-24H,12-13H2
InChIKeyTYUVTDPQVAYGMP-UHFFFAOYSA-N
XLogP3.28
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(3-Aminophenyl)-hydroxymethyl]phenyl]benzenesulfonamide
CID 156010186
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 25097265
4-(4-bromo-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097521
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25097525
N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
CID 25098083
4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25098085
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25098088
N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 4587533
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-3-methylbenzenesulfonamide
CID 71717422
4-(4-bromophenyl)-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 24936205
N-[3-(hydroxymethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 25097271

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide (CID 25098084) is N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(CO)c(CO)c1)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is TYUVTDPQVAYGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c21-18-6-1-14(2-7-18)15-4-9-20(10-5-15)27(25,26)22-19-8-3-16(12-23)17(11-19)13-24/h1-11,22-24H,12-13H2.
What are the key properties of N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide?
N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 387.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 25098084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).