4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide

C17H23F3N2O3S — CID 20629063

IUPAC4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C17H23F3N2O3S/c1-17(2,3)26(24,25)22-11-6-4-10(5-7-11)16(23)21-13-9-8-12(18)14(19)15(13)20/h8-11,22H,4-7H2,1-3H3,(H,21,23)
InChIKeyAVZDMEAMOUUQKJ-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.32
Rot. Bonds4

About 4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide

4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide (PubChem CID 20629063) has the molecular formula C17H23F3N2O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide
PubChem CID20629063
Molecular FormulaC17H23F3N2O3S
Molecular Weight392.44 g/mol
Exact Mass392.14
IUPAC Name4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C17H23F3N2O3S/c1-17(2,3)26(24,25)22-11-6-4-10(5-7-11)16(23)21-13-9-8-12(18)14(19)15(13)20/h8-11,22H,4-7H2,1-3H3,(H,21,23)
InChIKeyAVZDMEAMOUUQKJ-UHFFFAOYSA-N
XLogP3.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 20629671
N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20630370
N-anthracen-1-yl-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20629356
4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 20630688
N-(4-butoxy-2-hydroxyphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20630419
4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide
CID 20629387
4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide
CID 20630750
1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109146735
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252
1-N-tert-butyl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139689
4-(tert-butylsulfonylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 20630310
1-(2,5-dichlorophenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358144

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide (CID 20629063) is 4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is AVZDMEAMOUUQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3S/c1-17(2,3)26(24,25)22-11-6-4-10(5-7-11)16(23)21-13-9-8-12(18)14(19)15(13)20/h8-11,22H,4-7H2,1-3H3,(H,21,23).
What are the key properties of 4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide?
4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 20629063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).