N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide

C19H13Cl2NO4S — CID 11270147

IUPACN-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide
SMILESO=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H13Cl2NO4S/c20-12-9-16(18(23)17(21)10-12)19(24)22-13-5-4-8-15(11-13)27(25,26)14-6-2-1-3-7-14/h1-11,23H,(H,22,24)
InChIKeyLNCYRHURNMITQC-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.78
Rot. Bonds4

About N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide

N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide (PubChem CID 11270147) has the molecular formula C19H13Cl2NO4S and a molecular weight of 422.29 g/mol. Its IUPAC name is N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide
PubChem CID11270147
Molecular FormulaC19H13Cl2NO4S
Molecular Weight422.29 g/mol
Exact Mass420.99
IUPAC NameN-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide
SMILESO=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H13Cl2NO4S/c20-12-9-16(18(23)17(21)10-12)19(24)22-13-5-4-8-15(11-13)27(25,26)14-6-2-1-3-7-14/h1-11,23H,(H,22,24)
InChIKeyLNCYRHURNMITQC-UHFFFAOYSA-N
XLogP4.78
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide?
The IUPAC name of N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide (CID 11270147) is N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide.
What is the SMILES notation for N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide?
The canonical SMILES for N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide is O=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide?
The InChIKey is LNCYRHURNMITQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO4S/c20-12-9-16(18(23)17(21)10-12)19(24)22-13-5-4-8-15(11-13)27(25,26)14-6-2-1-3-7-14/h1-11,23H,(H,22,24).
What are the key properties of N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide?
N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide has a molecular weight of 422.29 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide is sourced from PubChem (CID 11270147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).