N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide

C25H26N2O5S2 — CID 2327586

IUPACN,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C25H26N2O5S2/c1-31-17-15-26(16-18-32-2)34(29,30)20-13-11-19(12-14-20)25(28)27-21-7-3-5-9-23(21)33-24-10-6-4-8-22(24)27/h3-14H,15-18H2,1-2H3
InChIKeyHXMDFHGDFHYEIP-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.41
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide

N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide (PubChem CID 2327586) has the molecular formula C25H26N2O5S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide
PubChem CID2327586
Molecular FormulaC25H26N2O5S2
Molecular Weight498.63 g/mol
Exact Mass498.13
IUPAC NameN,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C25H26N2O5S2/c1-31-17-15-26(16-18-32-2)34(29,30)20-13-11-19(12-14-20)25(28)27-21-7-3-5-9-23(21)33-24-10-6-4-8-22(24)27/h3-14H,15-18H2,1-2H3
InChIKeyHXMDFHGDFHYEIP-UHFFFAOYSA-N
XLogP4.41
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide (CID 2327586) is N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide?
The InChIKey is HXMDFHGDFHYEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S2/c1-31-17-15-26(16-18-32-2)34(29,30)20-13-11-19(12-14-20)25(28)27-21-7-3-5-9-23(21)33-24-10-6-4-8-22(24)27/h3-14H,15-18H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide?
N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide has a molecular weight of 498.63 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-4-(phenothiazine-10-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2327586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).