10-(benzenesulfonyl)-2-chlorophenothiazine

C18H12ClNO2S2 — CID 1380786

IUPAC10-(benzenesulfonyl)-2-chlorophenothiazine
SMILESO=S(=O)(c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C18H12ClNO2S2/c19-13-10-11-18-16(12-13)20(15-8-4-5-9-17(15)23-18)24(21,22)14-6-2-1-3-7-14/h1-12H
InChIKeyIHVUBKMKCKFUOO-UHFFFAOYSA-N
MW373.89 g/mol
LogP5.33
Rot. Bonds2

About 10-(benzenesulfonyl)-2-chlorophenothiazine

10-(benzenesulfonyl)-2-chlorophenothiazine (PubChem CID 1380786) has the molecular formula C18H12ClNO2S2 and a molecular weight of 373.89 g/mol. Its IUPAC name is 10-(benzenesulfonyl)-2-chlorophenothiazine.

Molecular Properties

Compound Name10-(benzenesulfonyl)-2-chlorophenothiazine
PubChem CID1380786
Molecular FormulaC18H12ClNO2S2
Molecular Weight373.89 g/mol
Exact Mass373.00
IUPAC Name10-(benzenesulfonyl)-2-chlorophenothiazine
SMILESO=S(=O)(c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C18H12ClNO2S2/c19-13-10-11-18-16(12-13)20(15-8-4-5-9-17(15)23-18)24(21,22)14-6-2-1-3-7-14/h1-12H
InChIKeyIHVUBKMKCKFUOO-UHFFFAOYSA-N
XLogP5.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(benzenesulfonyl)-2-chlorophenothiazine?
The IUPAC name of 10-(benzenesulfonyl)-2-chlorophenothiazine (CID 1380786) is 10-(benzenesulfonyl)-2-chlorophenothiazine.
What is the SMILES notation for 10-(benzenesulfonyl)-2-chlorophenothiazine?
The canonical SMILES for 10-(benzenesulfonyl)-2-chlorophenothiazine is O=S(=O)(c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 10-(benzenesulfonyl)-2-chlorophenothiazine?
The InChIKey is IHVUBKMKCKFUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO2S2/c19-13-10-11-18-16(12-13)20(15-8-4-5-9-17(15)23-18)24(21,22)14-6-2-1-3-7-14/h1-12H.
What are the key properties of 10-(benzenesulfonyl)-2-chlorophenothiazine?
10-(benzenesulfonyl)-2-chlorophenothiazine has a molecular weight of 373.89 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(benzenesulfonyl)-2-chlorophenothiazine is sourced from PubChem (CID 1380786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).