N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide

C17H21F3N2O2S — CID 128578639

IUPACN-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide
SMILESO=S(=O)(NCCc1cccc2[nH]ccc12)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O2S/c18-17(19,20)13-4-6-14(7-5-13)25(23,24)22-11-8-12-2-1-3-16-15(12)9-10-21-16/h1-3,9-10,13-14,21-22H,4-8,11H2
InChIKeyUPEVOSGKWRTUBM-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.75
Rot. Bonds5

About N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide

N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide (PubChem CID 128578639) has the molecular formula C17H21F3N2O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide
PubChem CID128578639
Molecular FormulaC17H21F3N2O2S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC NameN-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide
SMILESO=S(=O)(NCCc1cccc2[nH]ccc12)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O2S/c18-17(19,20)13-4-6-14(7-5-13)25(23,24)22-11-8-12-2-1-3-16-15(12)9-10-21-16/h1-3,9-10,13-14,21-22H,4-8,11H2
InChIKeyUPEVOSGKWRTUBM-UHFFFAOYSA-N
XLogP3.75
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide?
The IUPAC name of N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide (CID 128578639) is N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide.
What is the SMILES notation for N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide?
The canonical SMILES for N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide is O=S(=O)(NCCc1cccc2[nH]ccc12)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide?
The InChIKey is UPEVOSGKWRTUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2S/c18-17(19,20)13-4-6-14(7-5-13)25(23,24)22-11-8-12-2-1-3-16-15(12)9-10-21-16/h1-3,9-10,13-14,21-22H,4-8,11H2.
What are the key properties of N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide?
N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide has a molecular weight of 374.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide is sourced from PubChem (CID 128578639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).