N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide

C17H18N2O2S2 — CID 59018198

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C17H18N2O2S2/c1-3-4-13-5-8-15(9-6-13)23(20,21)19-14-7-10-16-17(11-14)22-12(2)18-16/h5-11,19H,3-4H2,1-2H3
InChIKeyDCXSWFPUAQFTRG-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.36
Rot. Bonds5

About N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide

N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide (PubChem CID 59018198) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide
PubChem CID59018198
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C17H18N2O2S2/c1-3-4-13-5-8-15(9-6-13)23(20,21)19-14-7-10-16-17(11-14)22-12(2)18-16/h5-11,19H,3-4H2,1-2H3
InChIKeyDCXSWFPUAQFTRG-UHFFFAOYSA-N
XLogP4.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfonylbenzenesulfonamide
CID 46534623
N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
CID 59018250
3-bromo-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 4816108
N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-nitrophenyl)ethanesulfonamide
CID 71915018
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-4-propylbenzenesulfonamide
CID 46392507
N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3865821
N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 16803037
N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide
CID 110757506
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 30152738
4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 24636272
N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide
CID 143666508

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide (CID 59018198) is N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide?
The InChIKey is DCXSWFPUAQFTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-3-4-13-5-8-15(9-6-13)23(20,21)19-14-7-10-16-17(11-14)22-12(2)18-16/h5-11,19H,3-4H2,1-2H3.
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide has a molecular weight of 346.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 59018198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).