N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide

C17H20N2O3S2 — CID 46283483

IUPACN-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)N(C)CCS3)cc1
InChIInChI=1S/C17H20N2O3S2/c1-19-9-10-23-17-8-7-15(11-16(17)19)24(20,21)18-12-13-3-5-14(22-2)6-4-13/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyHJHVCDONHLLZFS-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.72
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide

N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide (PubChem CID 46283483) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
PubChem CID46283483
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)N(C)CCS3)cc1
InChIInChI=1S/C17H20N2O3S2/c1-19-9-10-23-17-8-7-15(11-16(17)19)24(20,21)18-12-13-3-5-14(22-2)6-4-13/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyHJHVCDONHLLZFS-UHFFFAOYSA-N
XLogP2.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 22549966
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195
4-acetyl-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519367
N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 811934
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057
3-chloro-N-[(4-methoxyphenyl)methyl]-1,2-benzothiazole-5-sulfonamide
CID 58727049
N-[(4-methoxyphenyl)methyl]-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100729148
N-[(4-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20886484

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide (CID 46283483) is N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide is COc1ccc(CNS(=O)(=O)c2ccc3c(c2)N(C)CCS3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
The InChIKey is HJHVCDONHLLZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-19-9-10-23-17-8-7-15(11-16(17)19)24(20,21)18-12-13-3-5-14(22-2)6-4-13/h3-8,11,18H,9-10,12H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 46283483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).