N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide

C16H15N3O4S2 — CID 45491872

IUPACN-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1
InChIInChI=1S/C16H15N3O4S2/c1-10(20)17-11-3-2-4-12(7-11)19-25(22,23)13-5-6-15-14(8-13)18-16(21)9-24-15/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyBGAVRTLBBPZHTJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.49
Rot. Bonds4

About N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide

N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide (PubChem CID 45491872) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide
PubChem CID45491872
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC NameN-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1
InChIInChI=1S/C16H15N3O4S2/c1-10(20)17-11-3-2-4-12(7-11)19-25(22,23)13-5-6-15-14(8-13)18-16(21)9-24-15/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyBGAVRTLBBPZHTJ-UHFFFAOYSA-N
XLogP2.49
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759476
N-[4-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]phenyl]acetamide
CID 45494168
3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
CID 110778775
3-oxo-N-(2,4,6-trimethylphenyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 22550030
N-(4-cyanophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759482
N-(3-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548261
N-(3-methylsulfanylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20927733
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550000
3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide
CID 110759474
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550066

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide (CID 45491872) is N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1.
What is the InChIKey of N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide?
The InChIKey is BGAVRTLBBPZHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-10(20)17-11-3-2-4-12(7-11)19-25(22,23)13-5-6-15-14(8-13)18-16(21)9-24-15/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide?
N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 45491872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).