N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide

C21H24N2O3S — CID 132528756

IUPACN-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)c3ccn(C(=O)C(C)(C)C)c23)cc1
InChIInChI=1S/C21H24N2O3S/c1-14-6-9-16(10-7-14)27(25,26)22-18-11-8-15(2)17-12-13-23(19(17)18)20(24)21(3,4)5/h6-13,22H,1-5H3
InChIKeyZSYRQLSHFBWWCE-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.75
Rot. Bonds3

About N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide

N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide (PubChem CID 132528756) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide
PubChem CID132528756
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)c3ccn(C(=O)C(C)(C)C)c23)cc1
InChIInChI=1S/C21H24N2O3S/c1-14-6-9-16(10-7-14)27(25,26)22-18-11-8-15(2)17-12-13-23(19(17)18)20(24)21(3,4)5/h6-13,22H,1-5H3
InChIKeyZSYRQLSHFBWWCE-UHFFFAOYSA-N
XLogP4.75
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-bromo-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide
CID 132528764
N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide
CID 142745813
N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide
CID 142745815
ethyl 2-[1-(2,2-dimethylpropanoyl)-7-[(4-methylphenyl)sulfonylamino]indol-3-yl]acetate
CID 132528762
N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide
CID 142745825
N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 169372704
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 102223921
tert-butyl 2-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrole-1-carboxylate
CID 56839230
tert-butyl 3-hydroxy-4-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372622
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide (CID 132528756) is N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)c3ccn(C(=O)C(C)(C)C)c23)cc1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide?
The InChIKey is ZSYRQLSHFBWWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-6-9-16(10-7-14)27(25,26)22-18-11-8-15(2)17-12-13-23(19(17)18)20(24)21(3,4)5/h6-13,22H,1-5H3.
What are the key properties of N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide?
N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 132528756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).