benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide

C14H11N2O2S2- — CID 2218568

IUPACbenzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide
SMILESCc1cccc2sc([N-]S(=O)(=O)c3ccccc3)nc12
InChIInChI=1S/C14H11N2O2S2/c1-10-6-5-9-12-13(10)15-14(19-12)16-20(17,18)11-7-3-2-4-8-11/h2-9H,1H3/q-1
InChIKeyKJOKZLWUTHMTPG-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.00
Rot. Bonds3

About benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide

benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide (PubChem CID 2218568) has the molecular formula C14H11N2O2S2- and a molecular weight of 303.39 g/mol. Its IUPAC name is benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide.

Molecular Properties

Compound Namebenzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide
PubChem CID2218568
Molecular FormulaC14H11N2O2S2-
Molecular Weight303.39 g/mol
Exact Mass303.03
IUPAC Namebenzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide
SMILESCc1cccc2sc([N-]S(=O)(=O)c3ccccc3)nc12
InChIInChI=1S/C14H11N2O2S2/c1-10-6-5-9-12-13(10)15-14(19-12)16-20(17,18)11-7-3-2-4-8-11/h2-9H,1H3/q-1
InChIKeyKJOKZLWUTHMTPG-UHFFFAOYSA-N
XLogP4.00
TPSA61.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(4-methyl-1,3-benzothiazol-2-yl)diazene
CID 154148255
2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol
CID 83384612
4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide
CID 171999825
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 7599897
4-methyl-2-nitro-1,3-benzothiazole
CID 119093125
2-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44928140
4-methyl-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941444
ethane;2-ethyl-4-methyl-1,3-benzothiazole
CID 91212419
1,3-benzothiazol-2-yl-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539237
(4-methyl-1,3-benzothiazol-2-yl) acetate
CID 21327492
2-(1-chloroethyl)-4-methyl-1,3-benzothiazole
CID 79022387
2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 59232817

Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide?
The IUPAC name of benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide (CID 2218568) is benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide.
What is the SMILES notation for benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide?
The canonical SMILES for benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide is Cc1cccc2sc([N-]S(=O)(=O)c3ccccc3)nc12.
What is the InChIKey of benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide?
The InChIKey is KJOKZLWUTHMTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N2O2S2/c1-10-6-5-9-12-13(10)15-14(19-12)16-20(17,18)11-7-3-2-4-8-11/h2-9H,1H3/q-1.
What are the key properties of benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide?
benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide has a molecular weight of 303.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide is sourced from PubChem (CID 2218568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).