(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide

C19H22ClFN2O3S — CID 86765168

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClFN2O3S/c1-13(2)11-18(19(22)24)23(12-14-5-3-4-6-17(14)21)27(25,26)16-9-7-15(20)8-10-16/h3-10,13,18H,11-12H2,1-2H3,(H2,22,24)/t18-/m1/s1
InChIKeyDLTJQQLSEAJQHU-GOSISDBHSA-N
MW412.91 g/mol
LogP3.57
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide (PubChem CID 86765168) has the molecular formula C19H22ClFN2O3S and a molecular weight of 412.91 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide
PubChem CID86765168
Molecular FormulaC19H22ClFN2O3S
Molecular Weight412.91 g/mol
Exact Mass412.10
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClFN2O3S/c1-13(2)11-18(19(22)24)23(12-14-5-3-4-6-17(14)21)27(25,26)16-9-7-15(20)8-10-16/h3-10,13,18H,11-12H2,1-2H3,(H2,22,24)/t18-/m1/s1
InChIKeyDLTJQQLSEAJQHU-GOSISDBHSA-N
XLogP3.57
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide
CID 58245604
(2R)-2-[(4-acetamidophenyl)methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 10238477
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-[[[3-(dimethylamino)-2-oxopropyl]amino]methyl]phenyl]methyl]amino]-4-methylpentanamide
CID 67197068
(2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 67195389
2-[(4-chlorophenyl)sulfonyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075487
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
(2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide
CID 10289591
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46152500
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-hydroxypropanamide
CID 23645796
(2R)-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 125084209
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(methylaminomethyl)phenyl]methyl]amino]-4-methylpentanoic acid
CID 154081171

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide (CID 86765168) is (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide is CC(C)C[C@H](C(N)=O)N(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide?
The InChIKey is DLTJQQLSEAJQHU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S/c1-13(2)11-18(19(22)24)23(12-14-5-3-4-6-17(14)21)27(25,26)16-9-7-15(20)8-10-16/h3-10,13,18H,11-12H2,1-2H3,(H2,22,24)/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide has a molecular weight of 412.91 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide is sourced from PubChem (CID 86765168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).