(2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide

C15H17ClF3N3O3S — CID 57384790

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide
SMILESN#CCCCN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClF3N3O3S/c16-11-3-5-12(6-4-11)26(24,25)22(10-2-1-9-20)13(14(21)23)7-8-15(17,18)19/h3-6,13H,1-2,7-8,10H2,(H2,21,23)/t13-/m1/s1
InChIKeyHTXJBXCTEVMBLA-CYBMUJFWSA-N
MW411.83 g/mol
LogP2.83
Rot. Bonds9

About (2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide (PubChem CID 57384790) has the molecular formula C15H17ClF3N3O3S and a molecular weight of 411.83 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide
PubChem CID57384790
Molecular FormulaC15H17ClF3N3O3S
Molecular Weight411.83 g/mol
Exact Mass411.06
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide
SMILESN#CCCCN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClF3N3O3S/c16-11-3-5-12(6-4-11)26(24,25)22(10-2-1-9-20)13(14(21)23)7-8-15(17,18)19/h3-6,13H,1-2,7-8,10H2,(H2,21,23)/t13-/m1/s1
InChIKeyHTXJBXCTEVMBLA-CYBMUJFWSA-N
XLogP2.83
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.83
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide
CID 57385030
(2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 67195389
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437
4-[(4-chlorophenyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60829614
N-(2-cyanoethyl)-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide
CID 51109256
(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide
CID 86765168
(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508527
2-[(4-chlorophenyl)sulfonyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075487
3-amino-N-(2-cyanoethyl)-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43577476
2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508550
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide
CID 58245604
(4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane
CID 15587414

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide (CID 57384790) is (2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide is N#CCCCN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide?
The InChIKey is HTXJBXCTEVMBLA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17ClF3N3O3S/c16-11-3-5-12(6-4-11)26(24,25)22(10-2-1-9-20)13(14(21)23)7-8-15(17,18)19/h3-6,13H,1-2,7-8,10H2,(H2,21,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide has a molecular weight of 411.83 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 57384790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).