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

C23H22N2O3S2 — CID 1102147

IUPACN,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C23H22N2O3S2/c1-3-24(4-2)30(27,28)18-11-9-10-17(16-18)23(26)25-19-12-5-7-14-21(19)29-22-15-8-6-13-20(22)25/h5-16H,3-4H2,1-2H3
InChIKeyCFUZEILLCPYUGM-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.16
Rot. Bonds5

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

N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide (PubChem CID 1102147) has the molecular formula C23H22N2O3S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide
PubChem CID1102147
Molecular FormulaC23H22N2O3S2
Molecular Weight438.57 g/mol
Exact Mass438.11
IUPAC NameN,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C23H22N2O3S2/c1-3-24(4-2)30(27,28)18-11-9-10-17(16-18)23(26)25-19-12-5-7-14-21(19)29-22-15-8-6-13-20(22)25/h5-16H,3-4H2,1-2H3
InChIKeyCFUZEILLCPYUGM-UHFFFAOYSA-N
XLogP5.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide (CID 1102147) is N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide?
The InChIKey is CFUZEILLCPYUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S2/c1-3-24(4-2)30(27,28)18-11-9-10-17(16-18)23(26)25-19-12-5-7-14-21(19)29-22-15-8-6-13-20(22)25/h5-16H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide?
N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide has a molecular weight of 438.57 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide is sourced from PubChem (CID 1102147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).