(2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide

C14H21BrN2O3S — CID 51979876

IUPAC(2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccccc1Br)C(=O)N(C)C
InChIInChI=1S/C14H21BrN2O3S/c1-10(2)9-12(14(18)17(3)4)16-21(19,20)13-8-6-5-7-11(13)15/h5-8,10,12,16H,9H2,1-4H3/t12-/m0/s1
InChIKeyORNZPFHTHKURRX-LBPRGKRZSA-N
MW377.30 g/mol
LogP2.23
Rot. Bonds6

About (2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide

(2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide (PubChem CID 51979876) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is (2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide
PubChem CID51979876
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name(2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccccc1Br)C(=O)N(C)C
InChIInChI=1S/C14H21BrN2O3S/c1-10(2)9-12(14(18)17(3)4)16-21(19,20)13-8-6-5-7-11(13)15/h5-8,10,12,16H,9H2,1-4H3/t12-/m0/s1
InChIKeyORNZPFHTHKURRX-LBPRGKRZSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of (2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide (CID 51979876) is (2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for (2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for (2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide is CC(C)C[C@H](NS(=O)(=O)c1ccccc1Br)C(=O)N(C)C.
What is the InChIKey of (2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide?
The InChIKey is ORNZPFHTHKURRX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-10(2)9-12(14(18)17(3)4)16-21(19,20)13-8-6-5-7-11(13)15/h5-8,10,12,16H,9H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide?
(2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide has a molecular weight of 377.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-bromophenyl)sulfonylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 51979876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).