N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide

C19H22N2O2S — CID 4109494

IUPACN-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide
SMILESCCC(C)(C)c1cc2cc(NS(=O)(=O)c3ccccc3)ccc2[nH]1
InChIInChI=1S/C19H22N2O2S/c1-4-19(2,3)18-13-14-12-15(10-11-17(14)20-18)21-24(22,23)16-8-6-5-7-9-16/h5-13,20-21H,4H2,1-3H3
InChIKeyODRZMRHWIKRFRP-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.66
Rot. Bonds5

About N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide

N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide (PubChem CID 4109494) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide
PubChem CID4109494
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide
SMILESCCC(C)(C)c1cc2cc(NS(=O)(=O)c3ccccc3)ccc2[nH]1
InChIInChI=1S/C19H22N2O2S/c1-4-19(2,3)18-13-14-12-15(10-11-17(14)20-18)21-24(22,23)16-8-6-5-7-9-16/h5-13,20-21H,4H2,1-3H3
InChIKeyODRZMRHWIKRFRP-UHFFFAOYSA-N
XLogP4.66
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide
CID 142886363
5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 42808947
4-fluoro-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943761
N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 71425023
4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943742
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide
CID 110444579
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(benzenesulfonamido)-2-methylbenzenesulfonamide
CID 43246869
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
3,5-dichloro-N-(2-formyl-1H-indol-5-yl)benzenesulfonamide
CID 145476758
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide (CID 4109494) is N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide is CCC(C)(C)c1cc2cc(NS(=O)(=O)c3ccccc3)ccc2[nH]1.
What is the InChIKey of N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide?
The InChIKey is ODRZMRHWIKRFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-4-19(2,3)18-13-14-12-15(10-11-17(14)20-18)21-24(22,23)16-8-6-5-7-9-16/h5-13,20-21H,4H2,1-3H3.
What are the key properties of N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide?
N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 4109494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).