N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide

C13H11N3O2S2 — CID 42545343

IUPACN-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3nsnc3c2)c1
InChIInChI=1S/C13H11N3O2S2/c1-9-3-2-4-11(7-9)20(17,18)16-10-5-6-12-13(8-10)15-19-14-12/h2-8,16H,1H3
InChIKeyUFNPTNZHUOLQMO-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.80
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide

N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide (PubChem CID 42545343) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide
PubChem CID42545343
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3nsnc3c2)c1
InChIInChI=1S/C13H11N3O2S2/c1-9-3-2-4-11(7-9)20(17,18)16-10-5-6-12-13(8-10)15-19-14-12/h2-8,16H,1H3
InChIKeyUFNPTNZHUOLQMO-UHFFFAOYSA-N
XLogP2.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 42545354
N-[5-[(3-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971915
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 4669195
3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110779087
N-(4-amino-3-bromophenyl)-3-methylbenzenesulfonamide
CID 82861740
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
CID 110778775
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide (CID 42545343) is N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc3nsnc3c2)c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide?
The InChIKey is UFNPTNZHUOLQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-9-3-2-4-11(7-9)20(17,18)16-10-5-6-12-13(8-10)15-19-14-12/h2-8,16H,1H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide?
N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide has a molecular weight of 305.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 42545343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).