(2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide

C18H28BrClN2O3S — CID 67195389

IUPAC(2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
SMILESCCC(Br)CCCN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H28BrClN2O3S/c1-4-14(19)6-5-11-22(17(18(21)23)12-13(2)3)26(24,25)16-9-7-15(20)8-10-16/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H2,21,23)/t14?,17-/m1/s1
InChIKeyURXLTWUNCFNTRM-FBMWCMRBSA-N
MW467.86 g/mol
LogP4.18
Rot. Bonds11

About (2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide

(2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide (PubChem CID 67195389) has the molecular formula C18H28BrClN2O3S and a molecular weight of 467.86 g/mol. Its IUPAC name is (2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
PubChem CID67195389
Molecular FormulaC18H28BrClN2O3S
Molecular Weight467.86 g/mol
Exact Mass466.07
IUPAC Name(2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
SMILESCCC(Br)CCCN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H28BrClN2O3S/c1-4-14(19)6-5-11-22(17(18(21)23)12-13(2)3)26(24,25)16-9-7-15(20)8-10-16/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H2,21,23)/t14?,17-/m1/s1
InChIKeyURXLTWUNCFNTRM-FBMWCMRBSA-N
XLogP4.18
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide
CID 86765168
(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-[(3-methoxyphenyl)methyl]amino]-4-methylpentanamide
CID 71462262
(2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide
CID 57384790
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-[[[3-(dimethylamino)-2-oxopropyl]amino]methyl]phenyl]methyl]amino]-4-methylpentanamide
CID 67197068
4-[(4-chlorophenyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60829614
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-N-(3-methylbutyl)benzenesulfonamide
CID 67368466
(2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide
CID 150685288
N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 67367150
(2S)-2-[(4-chlorophenyl)sulfonyl-[[1-[2-(4-cyanophenyl)-2-oxoethyl]piperidin-4-yl]methyl]amino]-4-methylpentanamide
CID 10218300

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide (CID 67195389) is (2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide is CCC(Br)CCCN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide?
The InChIKey is URXLTWUNCFNTRM-FBMWCMRBSA-N. The full InChI is InChI=1S/C18H28BrClN2O3S/c1-4-14(19)6-5-11-22(17(18(21)23)12-13(2)3)26(24,25)16-9-7-15(20)8-10-16/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H2,21,23)/t14?,17-/m1/s1.
What are the key properties of (2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide?
(2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide has a molecular weight of 467.86 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide is sourced from PubChem (CID 67195389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).