N-(4-chlorophenyl)phenothiazine-10-carboxamide

C19H13ClN2OS — CID 4244497

IUPACN-(4-chlorophenyl)phenothiazine-10-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H13ClN2OS/c20-13-9-11-14(12-10-13)21-19(23)22-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)22/h1-12H,(H,21,23)
InChIKeyLWKNMMKQEZCDIP-UHFFFAOYSA-N
MW352.85 g/mol
LogP6.17
Rot. Bonds1

About N-(4-chlorophenyl)phenothiazine-10-carboxamide

N-(4-chlorophenyl)phenothiazine-10-carboxamide (PubChem CID 4244497) has the molecular formula C19H13ClN2OS and a molecular weight of 352.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)phenothiazine-10-carboxamide
PubChem CID4244497
Molecular FormulaC19H13ClN2OS
Molecular Weight352.85 g/mol
Exact Mass352.04
IUPAC NameN-(4-chlorophenyl)phenothiazine-10-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H13ClN2OS/c20-13-9-11-14(12-10-13)21-19(23)22-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)22/h1-12H,(H,21,23)
InChIKeyLWKNMMKQEZCDIP-UHFFFAOYSA-N
XLogP6.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.85
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(4-chlorophenyl)phenothiazine-10-carboxamide (CID 4244497) is N-(4-chlorophenyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)phenothiazine-10-carboxamide is O=C(Nc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)phenothiazine-10-carboxamide?
The InChIKey is LWKNMMKQEZCDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS/c20-13-9-11-14(12-10-13)21-19(23)22-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)22/h1-12H,(H,21,23).
What are the key properties of N-(4-chlorophenyl)phenothiazine-10-carboxamide?
N-(4-chlorophenyl)phenothiazine-10-carboxamide has a molecular weight of 352.85 g/mol, XLogP of 6.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 4244497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).