3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide

C23H25N5O4S2 — CID 164822712

IUPAC3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide
SMILESCN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)NNS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C23H25N5O4S2/c1-26(2)15-5-11-19-21(13-15)33-22-14-16(27(3)4)6-12-20(22)28(19)23(30)24-25-34(31,32)18-9-7-17(29)8-10-18/h5-14,25,29H,1-4H3,(H,24,30)
InChIKeyUHVPBSXGUHIDTE-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.73
Rot. Bonds5

About 3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide

3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide (PubChem CID 164822712) has the molecular formula C23H25N5O4S2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide.

Molecular Properties

Compound Name3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide
PubChem CID164822712
Molecular FormulaC23H25N5O4S2
Molecular Weight499.62 g/mol
Exact Mass499.13
IUPAC Name3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide
SMILESCN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)NNS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C23H25N5O4S2/c1-26(2)15-5-11-19-21(13-15)33-22-14-16(27(3)4)6-12-20(22)28(19)23(30)24-25-34(31,32)18-9-7-17(29)8-10-18/h5-14,25,29H,1-4H3,(H,24,30)
InChIKeyUHVPBSXGUHIDTE-UHFFFAOYSA-N
XLogP3.73
TPSA105.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide?
The IUPAC name of 3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide (CID 164822712) is 3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide.
What is the SMILES notation for 3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide?
The canonical SMILES for 3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide is CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)NNS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide?
The InChIKey is UHVPBSXGUHIDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S2/c1-26(2)15-5-11-19-21(13-15)33-22-14-16(27(3)4)6-12-20(22)28(19)23(30)24-25-34(31,32)18-9-7-17(29)8-10-18/h5-14,25,29H,1-4H3,(H,24,30).
What are the key properties of 3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide?
3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide has a molecular weight of 499.62 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide is sourced from PubChem (CID 164822712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).