2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide

C15H12ClN3O3S — CID 71607189

IUPAC2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C15H12ClN3O3S/c16-9-14(20)17-10-4-3-5-11(8-10)18-15-12-6-1-2-7-13(12)23(21,22)19-15/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyJWMFLBAPPIWNGG-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.42
Rot. Bonds3

About 2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide

2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide (PubChem CID 71607189) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide
PubChem CID71607189
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C15H12ClN3O3S/c16-9-14(20)17-10-4-3-5-11(8-10)18-15-12-6-1-2-7-13(12)23(21,22)19-15/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyJWMFLBAPPIWNGG-UHFFFAOYSA-N
XLogP2.42
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
N-(2-anilino-2-oxoethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 55860499
[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-chloro-2-phenylacetate
CID 21213578
N-(3-chloro-4-fluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 2301891
[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] (E)-3-phenylprop-2-enoate
CID 1348228
N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 55866596
N-(4-bromophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 29371074
[5-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-hydroxyphenyl]methyl-diethylazanium
CID 6969740
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 733227
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-propan-2-ylbenzamide
CID 18107944
N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 691376
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide (CID 71607189) is 2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide is O=C(CCl)Nc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1.
What is the InChIKey of 2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide?
The InChIKey is JWMFLBAPPIWNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c16-9-14(20)17-10-4-3-5-11(8-10)18-15-12-6-1-2-7-13(12)23(21,22)19-15/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide?
2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide has a molecular weight of 349.80 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 71607189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).