(2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide

C18H27ClFN3O4S — CID 69438653

IUPAC(2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide
SMILESNC(=O)[C@H](CC1CCCCC1)NC[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C18H27ClFN3O4S/c19-15-9-13(20)6-7-17(15)28(26,27)23-11-14(24)10-22-16(18(21)25)8-12-4-2-1-3-5-12/h6-7,9,12,14,16,22-24H,1-5,8,10-11H2,(H2,21,25)/t14-,16+/m1/s1
InChIKeyADFXQLHPLKZGNQ-ZBFHGGJFSA-N
MW435.95 g/mol
LogP1.53
Rot. Bonds10

About (2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide

(2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide (PubChem CID 69438653) has the molecular formula C18H27ClFN3O4S and a molecular weight of 435.95 g/mol. Its IUPAC name is (2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide
PubChem CID69438653
Molecular FormulaC18H27ClFN3O4S
Molecular Weight435.95 g/mol
Exact Mass435.14
IUPAC Name(2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide
SMILESNC(=O)[C@H](CC1CCCCC1)NC[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C18H27ClFN3O4S/c19-15-9-13(20)6-7-17(15)28(26,27)23-11-14(24)10-22-16(18(21)25)8-12-4-2-1-3-5-12/h6-7,9,12,14,16,22-24H,1-5,8,10-11H2,(H2,21,25)/t14-,16+/m1/s1
InChIKeyADFXQLHPLKZGNQ-ZBFHGGJFSA-N
XLogP1.53
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.95
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide with MolForge

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Related Compounds

[(2S)-1-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamic acid
CID 68839709
2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide
CID 83229495
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
(2S)-N-[3-[(2-chloro-4-fluorophenyl)sulfonylamino]propyl]-2-(5-cyclohexylpentanoylamino)-4-methylpentanamide
CID 11526778
(2S)-2-[3-[(2-chloro-4-fluorophenyl)sulfonylamino]propyl-(5-cyclohexylpentanoyl)amino]-4-methylpentanamide
CID 69441446
cyclohexylmethyl N-[(E)-1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]butylamino]-4-methyl-1-oxopent-2-en-2-yl]carbamate
CID 163484743
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936858
(2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide
CID 68926641
2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695010
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide?
The IUPAC name of (2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide (CID 69438653) is (2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide.
What is the SMILES notation for (2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide?
The canonical SMILES for (2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide is NC(=O)[C@H](CC1CCCCC1)NC[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of (2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide?
The InChIKey is ADFXQLHPLKZGNQ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H27ClFN3O4S/c19-15-9-13(20)6-7-17(15)28(26,27)23-11-14(24)10-22-16(18(21)25)8-12-4-2-1-3-5-12/h6-7,9,12,14,16,22-24H,1-5,8,10-11H2,(H2,21,25)/t14-,16+/m1/s1.
What are the key properties of (2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide?
(2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide has a molecular weight of 435.95 g/mol, XLogP of 1.53, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide is sourced from PubChem (CID 69438653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).