N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide

C22H28N2O2S — CID 10249451

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H28N2O2S/c1-5-22(3,4)18-10-12-19(13-11-18)27(25,26)24-16(2)14-17-15-23-21-9-7-6-8-20(17)21/h6-13,15-16,23-24H,5,14H2,1-4H3
InChIKeyXMPSZXFHGSWNAS-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.76
Rot. Bonds7

About N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide

N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 10249451) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID10249451
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H28N2O2S/c1-5-22(3,4)18-10-12-19(13-11-18)27(25,26)24-16(2)14-17-15-23-21-9-7-6-8-20(17)21/h6-13,15-16,23-24H,5,14H2,1-4H3
InChIKeyXMPSZXFHGSWNAS-UHFFFAOYSA-N
XLogP4.76
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 25047405
4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 3790571
N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3587295
N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide
CID 3833416
N-[1-(1H-indol-3-yl)propan-2-yl]thiophene-2-sulfonamide
CID 3777897
N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide
CID 3759368
4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3305277
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
2,5-dibromo-3,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 10325022
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 18979112

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide (CID 10249451) is N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is XMPSZXFHGSWNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-5-22(3,4)18-10-12-19(13-11-18)27(25,26)24-16(2)14-17-15-23-21-9-7-6-8-20(17)21/h6-13,15-16,23-24H,5,14H2,1-4H3.
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 384.55 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 10249451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).