N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide

C14H13ClFNO3S — CID 43507543

IUPACN-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H13ClFNO3S/c1-9(18)10-4-2-5-11(8-10)21(19,20)17-13-7-3-6-12(15)14(13)16/h2-9,17-18H,1H3
InChIKeyKSHDNHWUWHRHCO-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.33
Rot. Bonds4

About N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide

N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 43507543) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
PubChem CID43507543
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC NameN-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H13ClFNO3S/c1-9(18)10-4-2-5-11(8-10)21(19,20)17-13-7-3-6-12(15)14(13)16/h2-9,17-18H,1H3
InChIKeyKSHDNHWUWHRHCO-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507509
N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507327
N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107629533
3-(1-hydroxyethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 42946409
4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
CID 115329618
3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
CID 43507196
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 66354403
5-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64608883
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107464429
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide (CID 43507543) is N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide is CC(O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2F)c1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is KSHDNHWUWHRHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-9(18)10-4-2-5-11(8-10)21(19,20)17-13-7-3-6-12(15)14(13)16/h2-9,17-18H,1H3.
What are the key properties of N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide?
N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43507543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).