N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide

C14H12N2O3S2 — CID 670284

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1
InChIInChI=1S/C14H12N2O3S2/c1-19-10-7-8-12-13(9-10)20-14(15-12)16-21(17,18)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKeyWNSZWEWTCZYWFU-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.11
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide

N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide (PubChem CID 670284) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
PubChem CID670284
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1
InChIInChI=1S/C14H12N2O3S2/c1-19-10-7-8-12-13(9-10)20-14(15-12)16-21(17,18)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKeyWNSZWEWTCZYWFU-UHFFFAOYSA-N
XLogP3.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 4180216
4-amino-N-(5-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 121004629
3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 6484634
1-(3-methoxyphenyl)-3-[2-(naphthalen-2-ylsulfonylamino)-1,3-benzothiazol-6-yl]urea
CID 162395384
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 3764092
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17473219
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide
CID 66486153
2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2374730
N-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-4-methylbenzamide
CID 46291240
3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7578979
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide (CID 670284) is N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide is COc1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
The InChIKey is WNSZWEWTCZYWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c1-19-10-7-8-12-13(9-10)20-14(15-12)16-21(17,18)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide has a molecular weight of 320.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 670284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).