N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide

C24H24N2O2S — CID 46331654

IUPACN-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-17(2)15-18-7-13-22(14-8-18)29(27,28)26-21-11-9-19(10-12-21)24-16-20-5-3-4-6-23(20)25-24/h3-14,16-17,25-26H,15H2,1-2H3
InChIKeyQUAKSXYMWWYDJZ-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.83
Rot. Bonds6

About N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide

N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 46331654) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID46331654
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-17(2)15-18-7-13-22(14-8-18)29(27,28)26-21-11-9-19(10-12-21)24-16-20-5-3-4-6-23(20)25-24/h3-14,16-17,25-26H,15H2,1-2H3
InChIKeyQUAKSXYMWWYDJZ-UHFFFAOYSA-N
XLogP5.83
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 46331649
N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 46331635
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
CID 46331701
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22202709
N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 46331646
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380950
N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide
CID 69471636
4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide
CID 22774577
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate
CID 22774775

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide (CID 46331654) is N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is QUAKSXYMWWYDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-17(2)15-18-7-13-22(14-8-18)29(27,28)26-21-11-9-19(10-12-21)24-16-20-5-3-4-6-23(20)25-24/h3-14,16-17,25-26H,15H2,1-2H3.
What are the key properties of N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 404.54 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 46331654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).