N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide

C13H10Cl2FNO3S — CID 107380788

IUPACN-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(CO)cc1F
InChIInChI=1S/C13H10Cl2FNO3S/c14-9-2-3-12(10(15)6-9)17-21(19,20)13-4-1-8(7-18)5-11(13)16/h1-6,17-18H,7H2
InChIKeyQMFNPINYXMZYPY-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.43
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide

N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide (PubChem CID 107380788) has the molecular formula C13H10Cl2FNO3S and a molecular weight of 350.20 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
PubChem CID107380788
Molecular FormulaC13H10Cl2FNO3S
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC NameN-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(CO)cc1F
InChIInChI=1S/C13H10Cl2FNO3S/c14-9-2-3-12(10(15)6-9)17-21(19,20)13-4-1-8(7-18)5-11(13)16/h1-6,17-18H,7H2
InChIKeyQMFNPINYXMZYPY-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444702
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
CID 43244390
2-fluoro-4-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132231
2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
CID 18282859
2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 79187804
N-(2,4-dichlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 18289032
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
(4-ethylsulfonyl-3-fluorophenyl)methanol
CID 112594378
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide (CID 107380788) is N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(CO)cc1F.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide?
The InChIKey is QMFNPINYXMZYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO3S/c14-9-2-3-12(10(15)6-9)17-21(19,20)13-4-1-8(7-18)5-11(13)16/h1-6,17-18H,7H2.
What are the key properties of N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide?
N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide has a molecular weight of 350.20 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 107380788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).