N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

C23H30N2O2S2 — CID 3256041

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCc1ccc2nc(NS(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)sc2c1
InChIInChI=1S/C23H30N2O2S2/c1-13(2)17-11-18(14(3)4)22(19(12-17)15(5)6)29(26,27)25-23-24-20-9-8-16(7)10-21(20)28-23/h8-15H,1-7H3,(H,24,25)
InChIKeyNNJCSYCAHLPKNV-UHFFFAOYSA-N
MW430.64 g/mol
LogP6.78
Rot. Bonds6

About N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 3256041) has the molecular formula C23H30N2O2S2 and a molecular weight of 430.64 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID3256041
Molecular FormulaC23H30N2O2S2
Molecular Weight430.64 g/mol
Exact Mass430.17
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCc1ccc2nc(NS(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)sc2c1
InChIInChI=1S/C23H30N2O2S2/c1-13(2)17-11-18(14(3)4)22(19(12-17)15(5)6)29(26,27)25-23-24-20-9-8-16(7)10-21(20)28-23/h8-15H,1-7H3,(H,24,25)
InChIKeyNNJCSYCAHLPKNV-UHFFFAOYSA-N
XLogP6.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide with MolForge

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Related Compounds

2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide
CID 63000149
2-carboxy-4-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]phenolate
CID 54694024
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide
CID 43415015
1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284864
4-methyl-3-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 71362240
N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3407231
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 3847622
6-methyl-N-(3-phenylbutyl)-1,3-benzothiazol-2-amine
CID 79126739
2-chloro-5-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 39855236
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 46392543
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 18853997

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 3256041) is N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide is Cc1ccc2nc(NS(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is NNJCSYCAHLPKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S2/c1-13(2)17-11-18(14(3)4)22(19(12-17)15(5)6)29(26,27)25-23-24-20-9-8-16(7)10-21(20)28-23/h8-15H,1-7H3,(H,24,25).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 430.64 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3256041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).