N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide

C20H23ClN2O3S2 — CID 1431186

IUPACN-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1N(C1=NCCCS1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H23ClN2O3S2/c1-13-10-14(2)19(15(3)11-13)28(24,25)23(20-22-8-5-9-27-20)17-12-16(21)6-7-18(17)26-4/h6-7,10-12H,5,8-9H2,1-4H3
InChIKeyVVGRJFRMJHDUCI-UHFFFAOYSA-N
MW439.00 g/mol
LogP4.96
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide

N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 1431186) has the molecular formula C20H23ClN2O3S2 and a molecular weight of 439.00 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID1431186
Molecular FormulaC20H23ClN2O3S2
Molecular Weight439.00 g/mol
Exact Mass438.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1N(C1=NCCCS1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H23ClN2O3S2/c1-13-10-14(2)19(15(3)11-13)28(24,25)23(20-22-8-5-9-27-20)17-12-16(21)6-7-18(17)26-4/h6-7,10-12H,5,8-9H2,1-4H3
InChIKeyVVGRJFRMJHDUCI-UHFFFAOYSA-N
XLogP4.96
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
CID 100507622
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816
2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide
CID 100507646
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline
CID 115256482
methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549387
N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462
propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894846
ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate
CID 50895054
ethyl 2-[[2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 126116314
N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine
CID 115225518
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100772302

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide (CID 1431186) is N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide is COc1ccc(Cl)cc1N(C1=NCCCS1)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is VVGRJFRMJHDUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S2/c1-13-10-14(2)19(15(3)11-13)28(24,25)23(20-22-8-5-9-27-20)17-12-16(21)6-7-18(17)26-4/h6-7,10-12H,5,8-9H2,1-4H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide?
N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 439.00 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 1431186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).