N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

C18H17F3N2O3S2 — CID 156602194

IUPACN-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
SMILESO=C(c1ccc(C(F)(F)F)s1)N1CC2CC1CC2NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17F3N2O3S2/c19-18(20,21)16-7-6-15(27-16)17(24)23-10-11-8-12(23)9-14(11)22-28(25,26)13-4-2-1-3-5-13/h1-7,11-12,14,22H,8-10H2
InChIKeyMKWKCEACXQKODG-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.35
Rot. Bonds4

About N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide (PubChem CID 156602194) has the molecular formula C18H17F3N2O3S2 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
PubChem CID156602194
Molecular FormulaC18H17F3N2O3S2
Molecular Weight430.47 g/mol
Exact Mass430.06
IUPAC NameN-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
SMILESO=C(c1ccc(C(F)(F)F)s1)N1CC2CC1CC2NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17F3N2O3S2/c19-18(20,21)16-7-6-15(27-16)17(24)23-10-11-8-12(23)9-14(11)22-28(25,26)13-4-2-1-3-5-13/h1-7,11-12,14,22H,8-10H2
InChIKeyMKWKCEACXQKODG-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,4S,5S)-2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
CID 87052873
N-[(1S,4S,5S)-2-[3-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
CID 87052876
N-[2-[2-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
CID 156601673
5-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156602241
N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide
CID 156609929
5-(benzenesulfonamido)-N-(3,5-dimethoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156602209
5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156602227
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 26559292
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
N-[1-[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 33162063
(5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27828067
N-[(1S,4S,5S)-2-(isoquinoline-1-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 87052826

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide (CID 156602194) is N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide is O=C(c1ccc(C(F)(F)F)s1)N1CC2CC1CC2NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
The InChIKey is MKWKCEACXQKODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S2/c19-18(20,21)16-7-6-15(27-16)17(24)23-10-11-8-12(23)9-14(11)22-28(25,26)13-4-2-1-3-5-13/h1-7,11-12,14,22H,8-10H2.
What are the key properties of N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide has a molecular weight of 430.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide is sourced from PubChem (CID 156602194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).