1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide

C14H11ClN2O3S2 — CID 50800424

IUPAC1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2s1
InChIInChI=1S/C14H11ClN2O3S2/c15-11-4-2-1-3-9(11)8-22(19,20)17-10-5-6-12-13(7-10)21-14(18)16-12/h1-7,17H,8H2,(H,16,18)
InChIKeyNCDDNBBJNJSPEN-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.18
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide

1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide (PubChem CID 50800424) has the molecular formula C14H11ClN2O3S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide
PubChem CID50800424
Molecular FormulaC14H11ClN2O3S2
Molecular Weight354.84 g/mol
Exact Mass353.99
IUPAC Name1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2s1
InChIInChI=1S/C14H11ClN2O3S2/c15-11-4-2-1-3-9(11)8-22(19,20)17-10-5-6-12-13(7-10)21-14(18)16-12/h1-7,17H,8H2,(H,16,18)
InChIKeyNCDDNBBJNJSPEN-UHFFFAOYSA-N
XLogP3.18
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide
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1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 3944658
1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778591
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide
CID 3991135
1-(2-chlorophenyl)-N-(1-ethyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342474
1-(2-chlorophenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)methanesulfonamide
CID 40889429
1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 4654981
1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide
CID 110728613
1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
CID 17257615
1-(2-chlorophenyl)-N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 110727363
5-bromo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
CID 50800200

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide (CID 50800424) is 1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2s1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide?
The InChIKey is NCDDNBBJNJSPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S2/c15-11-4-2-1-3-9(11)8-22(19,20)17-10-5-6-12-13(7-10)21-14(18)16-12/h1-7,17H,8H2,(H,16,18).
What are the key properties of 1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide?
1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide has a molecular weight of 354.84 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide is sourced from PubChem (CID 50800424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).