N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide

C20H17Cl2NO4S — CID 25097805

IUPACN-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(CO)cc(CO)c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H17Cl2NO4S/c21-16-3-6-19(20(22)10-16)15-1-4-18(5-2-15)28(26,27)23-17-8-13(11-24)7-14(9-17)12-25/h1-10,23-25H,11-12H2
InChIKeyQGYRILMRZUPNPG-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.45
Rot. Bonds6

About N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide

N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide (PubChem CID 25097805) has the molecular formula C20H17Cl2NO4S and a molecular weight of 438.33 g/mol. Its IUPAC name is N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide
PubChem CID25097805
Molecular FormulaC20H17Cl2NO4S
Molecular Weight438.33 g/mol
Exact Mass437.03
IUPAC NameN-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(CO)cc(CO)c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H17Cl2NO4S/c21-16-3-6-19(20(22)10-16)15-1-4-18(5-2-15)28(26,27)23-17-8-13(11-24)7-14(9-17)12-25/h1-10,23-25H,11-12H2
InChIKeyQGYRILMRZUPNPG-UHFFFAOYSA-N
XLogP4.45
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide?
The IUPAC name of N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide (CID 25097805) is N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(CO)cc(CO)c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide?
The InChIKey is QGYRILMRZUPNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO4S/c21-16-3-6-19(20(22)10-16)15-1-4-18(5-2-15)28(26,27)23-17-8-13(11-24)7-14(9-17)12-25/h1-10,23-25H,11-12H2.
What are the key properties of N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide?
N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide has a molecular weight of 438.33 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(hydroxymethyl)phenyl]-4-(2,4-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 25097805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).