2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide

C19H20Cl2N2O3S2 — CID 55590090

IUPAC2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCSc3ccc(Cl)cc32)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O3S2/c1-3-22(4-2)28(25,26)18-11-13(5-7-15(18)21)19(24)23-9-10-27-17-8-6-14(20)12-16(17)23/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyHGRFANQWSUJMEL-UHFFFAOYSA-N
MW459.42 g/mol
LogP4.78
Rot. Bonds5

About 2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide

2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide (PubChem CID 55590090) has the molecular formula C19H20Cl2N2O3S2 and a molecular weight of 459.42 g/mol. Its IUPAC name is 2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide
PubChem CID55590090
Molecular FormulaC19H20Cl2N2O3S2
Molecular Weight459.42 g/mol
Exact Mass458.03
IUPAC Name2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCSc3ccc(Cl)cc32)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O3S2/c1-3-22(4-2)28(25,26)18-11-13(5-7-15(18)21)19(24)23-9-10-27-17-8-6-14(20)12-16(17)23/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyHGRFANQWSUJMEL-UHFFFAOYSA-N
XLogP4.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide with MolForge

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Related Compounds

4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 55589633
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
CID 55775091
2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 32651732
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 86800701
5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2-chloro-N,N-diethylbenzenesulfonamide
CID 9295967
[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530052
2-chloro-N,N-diethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4683687
2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340217
2-chloro-N,N-diethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55923154
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-diethyl-2-fluorobenzenesulfonamide
CID 51147460

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide (CID 55590090) is 2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCSc3ccc(Cl)cc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide?
The InChIKey is HGRFANQWSUJMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S2/c1-3-22(4-2)28(25,26)18-11-13(5-7-15(18)21)19(24)23-9-10-27-17-8-6-14(20)12-16(17)23/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide?
2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide has a molecular weight of 459.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 55590090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).