N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide

C22H27ClN2O2S — CID 25206115

IUPACN-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCC[C@@H](Cn1c(C)cc2cc(Cl)ccc21)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H27ClN2O2S/c1-6-20(13-25-17(5)11-18-12-19(23)7-8-21(18)25)24-28(26,27)22-15(3)9-14(2)10-16(22)4/h7-12,20,24H,6,13H2,1-5H3/t20-/m0/s1
InChIKeyBKONECGVOADWLH-FQEVSTJZSA-N
MW418.99 g/mol
LogP5.29
Rot. Bonds6

About N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide

N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 25206115) has the molecular formula C22H27ClN2O2S and a molecular weight of 418.99 g/mol. Its IUPAC name is N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID25206115
Molecular FormulaC22H27ClN2O2S
Molecular Weight418.99 g/mol
Exact Mass418.15
IUPAC NameN-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCC[C@@H](Cn1c(C)cc2cc(Cl)ccc21)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H27ClN2O2S/c1-6-20(13-25-17(5)11-18-12-19(23)7-8-21(18)25)24-28(26,27)22-15(3)9-14(2)10-16(22)4/h7-12,20,24H,6,13H2,1-5H3/t20-/m0/s1
InChIKeyBKONECGVOADWLH-FQEVSTJZSA-N
XLogP5.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.99
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide with MolForge

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Related Compounds

methyl 1-[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]indole-6-carboxylate
CID 25206594
N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725552
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-[(2S)-1-(3-bromopyrrolo[2,3-b]pyridin-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 25206274
N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890197
N-[3-(4-chlorophenyl)sulfanyl-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 25168353
2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol
CID 123845193
2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide
CID 87669232
2-(5-chloro-1-ethylindol-2-yl)propan-1-ol
CID 117121568
2-(5-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117121588
N-(1-chlorobutan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65033438

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 25206115) is N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide is CC[C@@H](Cn1c(C)cc2cc(Cl)ccc21)NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is BKONECGVOADWLH-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27ClN2O2S/c1-6-20(13-25-17(5)11-18-12-19(23)7-8-21(18)25)24-28(26,27)22-15(3)9-14(2)10-16(22)4/h7-12,20,24H,6,13H2,1-5H3/t20-/m0/s1.
What are the key properties of N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 418.99 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(5-chloro-2-methylindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 25206115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).