N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C24H22N2O2S2 — CID 46392642

IUPACN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)CCCC5)cc3)sc2c1
InChIInChI=1S/C24H22N2O2S2/c1-16-6-13-22-23(14-16)29-24(25-22)18-7-10-20(11-8-18)26-30(27,28)21-12-9-17-4-2-3-5-19(17)15-21/h6-15,26H,2-5H2,1H3
InChIKeyRRLSXROFRSXRLD-UHFFFAOYSA-N
MW434.59 g/mol
LogP5.95
Rot. Bonds4

About N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 46392642) has the molecular formula C24H22N2O2S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID46392642
Molecular FormulaC24H22N2O2S2
Molecular Weight434.59 g/mol
Exact Mass434.11
IUPAC NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)CCCC5)cc3)sc2c1
InChIInChI=1S/C24H22N2O2S2/c1-16-6-13-22-23(14-16)29-24(25-22)18-7-10-20(11-8-18)26-30(27,28)21-12-9-17-4-2-3-5-19(17)15-21/h6-15,26H,2-5H2,1H3
InChIKeyRRLSXROFRSXRLD-UHFFFAOYSA-N
XLogP5.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 2821932
4-acetyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392649
N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]methanesulfonamide
CID 164804574
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392639
2,3-dimethyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid
CID 58937151
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 1371086
2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 91679872
N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 46392562
4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline
CID 110620092
4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 3797487
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 18586875
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 46392642) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)CCCC5)cc3)sc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is RRLSXROFRSXRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S2/c1-16-6-13-22-23(14-16)29-24(25-22)18-7-10-20(11-8-18)26-30(27,28)21-12-9-17-4-2-3-5-19(17)15-21/h6-15,26H,2-5H2,1H3.
What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 434.59 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 46392642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).