4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide

C19H20F2N2O2S — CID 113084507

IUPAC4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C19H20F2N2O2S/c1-12-8-13(20)5-7-18(12)26(24,25)23-11-19(2,3)16-10-22-17-9-14(21)4-6-15(16)17/h4-10,22-23H,11H2,1-3H3
InChIKeyBUUOSJHNBVMJFW-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.01
Rot. Bonds5

About 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide

4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide (PubChem CID 113084507) has the molecular formula C19H20F2N2O2S and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide
PubChem CID113084507
Molecular FormulaC19H20F2N2O2S
Molecular Weight378.44 g/mol
Exact Mass378.12
IUPAC Name4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C19H20F2N2O2S/c1-12-8-13(20)5-7-18(12)26(24,25)23-11-19(2,3)16-10-22-17-9-14(21)4-6-15(16)17/h4-10,22-23H,11H2,1-3H3
InChIKeyBUUOSJHNBVMJFW-UHFFFAOYSA-N
XLogP4.01
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide
CID 113084506
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
CID 113084491
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084493
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole
CID 113084495
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide
CID 113084511
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 113084321
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
3-(6-fluoro-1H-indol-3-yl)-3-methylbutanoic acid
CID 84628087
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174634
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide
CID 113084487
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide
CID 113084136
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085412

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide (CID 113084507) is 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC(C)(C)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide?
The InChIKey is BUUOSJHNBVMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2S/c1-12-8-13(20)5-7-18(12)26(24,25)23-11-19(2,3)16-10-22-17-9-14(21)4-6-15(16)17/h4-10,22-23H,11H2,1-3H3.
What are the key properties of 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide has a molecular weight of 378.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113084507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).