2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide

C16H16N2O2S2 — CID 852255

IUPAC2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3sc(C)nc3c2)c1
InChIInChI=1S/C16H16N2O2S2/c1-10-4-5-11(2)16(8-10)22(19,20)18-13-6-7-15-14(9-13)17-12(3)21-15/h4-9,18H,1-3H3
InChIKeyXQZQOANBKBUFCE-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.02
Rot. Bonds3

About 2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide

2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide (PubChem CID 852255) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
PubChem CID852255
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3sc(C)nc3c2)c1
InChIInChI=1S/C16H16N2O2S2/c1-10-4-5-11(2)16(8-10)22(19,20)18-13-6-7-15-14(9-13)17-12(3)21-15/h4-9,18H,1-3H3
InChIKeyXQZQOANBKBUFCE-UHFFFAOYSA-N
XLogP4.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,5-dimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 20971965
3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 6918870
2,4,6-trichloro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 10409141
2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid
CID 10432094
N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3865821
N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide
CID 25040146
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729056
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 24636271
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2118309
2-methyl-N-propyl-1,3-benzothiazol-5-amine
CID 82672114
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
N-(2-methyl-1,3-benzothiazol-5-yl)dodecane-1-sulfonamide
CID 59079299

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide (CID 852255) is 2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc3sc(C)nc3c2)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The InChIKey is XQZQOANBKBUFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-10-4-5-11(2)16(8-10)22(19,20)18-13-6-7-15-14(9-13)17-12(3)21-15/h4-9,18H,1-3H3.
What are the key properties of 2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 852255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).