N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide

C21H26N2O2S — CID 71425023

IUPACN-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCCCCc1cc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2[nH]1
InChIInChI=1S/C21H26N2O2S/c1-4-5-6-18-13-17-14-19(9-12-21(17)22-18)23-26(24,25)20-10-7-16(8-11-20)15(2)3/h7-15,22-23H,4-6H2,1-3H3
InChIKeyWZSMGKADQVLWNB-UHFFFAOYSA-N
MW370.52 g/mol
LogP5.43
Rot. Bonds7

About N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide

N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 71425023) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID71425023
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCCCCc1cc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2[nH]1
InChIInChI=1S/C21H26N2O2S/c1-4-5-6-18-13-17-14-19(9-12-21(17)22-18)23-26(24,25)20-10-7-16(8-11-20)15(2)3/h7-15,22-23H,4-6H2,1-3H3
InChIKeyWZSMGKADQVLWNB-UHFFFAOYSA-N
XLogP5.43
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide
CID 110428035
N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774369
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
4-fluoro-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943761
N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 11676519
4-propan-2-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 67227253
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide
CID 4109494
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745

Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide (CID 71425023) is N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide is CCCCc1cc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2[nH]1.
What is the InChIKey of N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is WZSMGKADQVLWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-4-5-6-18-13-17-14-19(9-12-21(17)22-18)23-26(24,25)20-10-7-16(8-11-20)15(2)3/h7-15,22-23H,4-6H2,1-3H3.
What are the key properties of N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide?
N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 71425023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).