(2S)-N-(benzenesulfonyl)-2-bromopentanamide

C11H14BrNO3S — CID 7035642

IUPAC(2S)-N-(benzenesulfonyl)-2-bromopentanamide
SMILESCCC[C@H](Br)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14BrNO3S/c1-2-6-10(12)11(14)13-17(15,16)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyHOYKZBHWMDHTSS-JTQLQIEISA-N
MW320.21 g/mol
LogP2.06
Rot. Bonds5

About (2S)-N-(benzenesulfonyl)-2-bromopentanamide

(2S)-N-(benzenesulfonyl)-2-bromopentanamide (PubChem CID 7035642) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is (2S)-N-(benzenesulfonyl)-2-bromopentanamide.

Molecular Properties

Compound Name(2S)-N-(benzenesulfonyl)-2-bromopentanamide
PubChem CID7035642
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name(2S)-N-(benzenesulfonyl)-2-bromopentanamide
SMILESCCC[C@H](Br)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14BrNO3S/c1-2-6-10(12)11(14)13-17(15,16)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyHOYKZBHWMDHTSS-JTQLQIEISA-N
XLogP2.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 52.06
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

ethyl 2-amino-3-(benzenesulfonamido)-3-oxopropanoate
CID 103308934
2-bromo-N-phenylpentanamide
CID 56980184
N-(benzenesulfonyl)-2,2-dichloroacetamide
CID 3778605
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
(2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide
CID 149392141
(2S)-4-(benzenesulfonamido)-2-bromobutanoic acid
CID 131850599
(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide
CID 96524563
2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide
CID 119279112
(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide
CID 67920805
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639
(4S)-5-(benzenesulfonamido)-4-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxopentanoic acid
CID 89346673

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzenesulfonyl)-2-bromopentanamide?
The IUPAC name of (2S)-N-(benzenesulfonyl)-2-bromopentanamide (CID 7035642) is (2S)-N-(benzenesulfonyl)-2-bromopentanamide.
What is the SMILES notation for (2S)-N-(benzenesulfonyl)-2-bromopentanamide?
The canonical SMILES for (2S)-N-(benzenesulfonyl)-2-bromopentanamide is CCC[C@H](Br)C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-N-(benzenesulfonyl)-2-bromopentanamide?
The InChIKey is HOYKZBHWMDHTSS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-2-6-10(12)11(14)13-17(15,16)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-N-(benzenesulfonyl)-2-bromopentanamide?
(2S)-N-(benzenesulfonyl)-2-bromopentanamide has a molecular weight of 320.21 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzenesulfonyl)-2-bromopentanamide is sourced from PubChem (CID 7035642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).