(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid

C12H16ClNO4S — CID 7061989

IUPAC(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C12H16ClNO4S/c1-8(2)7-11(12(15)16)14-19(17,18)10-5-3-9(13)4-6-10/h3-6,8,11,14H,7H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyOBAXKZOSVQFXHA-LLVKDONJSA-N
MW305.78 g/mol
LogP2.12
Rot. Bonds6

About (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid

(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 7061989) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
PubChem CID7061989
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C12H16ClNO4S/c1-8(2)7-11(12(15)16)14-19(17,18)10-5-3-9(13)4-6-10/h3-6,8,11,14H,7H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyOBAXKZOSVQFXHA-LLVKDONJSA-N
XLogP2.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
CID 61155878
methyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoate
CID 2765031
(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828970
3-chloro-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 21236350
(2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122069284
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfanylpropanoic acid
CID 7319023
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 18328781
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 18914695
2-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 119142039
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 42256056

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid (CID 7061989) is (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is OBAXKZOSVQFXHA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-8(2)7-11(12(15)16)14-19(17,18)10-5-3-9(13)4-6-10/h3-6,8,11,14H,7H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid?
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 305.78 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 7061989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).