N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide

C20H17F2NO4S — CID 25098083

IUPACN-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)c(CO)c1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H17F2NO4S/c21-16-4-8-19(20(22)10-16)13-2-6-18(7-3-13)28(26,27)23-17-5-1-14(11-24)15(9-17)12-25/h1-10,23-25H,11-12H2
InChIKeyNLDPKAOMYUTKCL-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.42
Rot. Bonds6

About N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide

N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide (PubChem CID 25098083) has the molecular formula C20H17F2NO4S and a molecular weight of 405.42 g/mol. Its IUPAC name is N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
PubChem CID25098083
Molecular FormulaC20H17F2NO4S
Molecular Weight405.42 g/mol
Exact Mass405.08
IUPAC NameN-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)c(CO)c1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H17F2NO4S/c21-16-4-8-19(20(22)10-16)13-2-6-18(7-3-13)28(26,27)23-17-5-1-14(11-24)15(9-17)12-25/h1-10,23-25H,11-12H2
InChIKeyNLDPKAOMYUTKCL-UHFFFAOYSA-N
XLogP3.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
CID 44237404
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-(4-fluorophenyl)benzenesulfonamide
CID 25098084
4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25098085
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25098088
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-(2,4-difluorophenyl)benzenesulfonamide?
The IUPAC name of N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide (CID 25098083) is N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide?
The canonical SMILES for N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(CO)c(CO)c1)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide?
The InChIKey is NLDPKAOMYUTKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO4S/c21-16-4-8-19(20(22)10-16)13-2-6-18(7-3-13)28(26,27)23-17-5-1-14(11-24)15(9-17)12-25/h1-10,23-25H,11-12H2.
What are the key properties of N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide?
N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide has a molecular weight of 405.42 g/mol, XLogP of 3.42, 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-(2,4-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 25098083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).