4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide

C23H21ClN2O3S2 — CID 1036851

IUPAC4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C23H21ClN2O3S2/c1-3-25(4-2)31(28,29)16-13-14-18(24)17(15-16)23(27)26-19-9-5-7-11-21(19)30-22-12-8-6-10-20(22)26/h5-15H,3-4H2,1-2H3
InChIKeyQOLQVBLBYFMDTL-UHFFFAOYSA-N
MW473.02 g/mol
LogP5.81
Rot. Bonds5

About 4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide

4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide (PubChem CID 1036851) has the molecular formula C23H21ClN2O3S2 and a molecular weight of 473.02 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide
PubChem CID1036851
Molecular FormulaC23H21ClN2O3S2
Molecular Weight473.02 g/mol
Exact Mass472.07
IUPAC Name4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C23H21ClN2O3S2/c1-3-25(4-2)31(28,29)16-13-14-18(24)17(15-16)23(27)26-19-9-5-7-11-21(19)30-22-12-8-6-10-20(22)26/h5-15H,3-4H2,1-2H3
InChIKeyQOLQVBLBYFMDTL-UHFFFAOYSA-N
XLogP5.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.02
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
phenyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2668421
3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide
CID 26080208
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
4-chloro-N,N-diethyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 31328097
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
(2S)-1-[2-chloro-5-(diethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 41273093
1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521782
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide (CID 1036851) is 4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of 4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide?
The InChIKey is QOLQVBLBYFMDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3S2/c1-3-25(4-2)31(28,29)16-13-14-18(24)17(15-16)23(27)26-19-9-5-7-11-21(19)30-22-12-8-6-10-20(22)26/h5-15H,3-4H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide?
4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide has a molecular weight of 473.02 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide is sourced from PubChem (CID 1036851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).