2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide

C16H16N2O3S2 — CID 110784806

IUPAC2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C16H16N2O3S2/c1-11-4-2-3-5-15(11)23(20,21)17-9-12-6-7-14-13(8-12)18-16(19)10-22-14/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyKMSQQJZUEQHGMS-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.52
Rot. Bonds4

About 2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide

2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide (PubChem CID 110784806) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide
PubChem CID110784806
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C16H16N2O3S2/c1-11-4-2-3-5-15(11)23(20,21)17-9-12-6-7-14-13(8-12)18-16(19)10-22-14/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyKMSQQJZUEQHGMS-UHFFFAOYSA-N
XLogP2.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550066
6-[(propan-2-ylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 82476497
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 110784725
N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide
CID 110790838
3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 110759458
methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784769
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771530
6-[(2-aminoethylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115195329
6-[(2-aminopropylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115196564
2-(2-fluorophenyl)-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]acetamide
CID 110784785
1-amino-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115192676
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide (CID 110784806) is 2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide?
The InChIKey is KMSQQJZUEQHGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-11-4-2-3-5-15(11)23(20,21)17-9-12-6-7-14-13(8-12)18-16(19)10-22-14/h2-8,17H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide?
2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide has a molecular weight of 348.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110784806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).