4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide

C12H19NO3S — CID 67276511

IUPAC4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H](CC)CO)cc1
InChIInChI=1S/C12H19NO3S/c1-3-10-5-7-12(8-6-10)17(15,16)13-11(4-2)9-14/h5-8,11,13-14H,3-4,9H2,1-2H3/t11-/m0/s1
InChIKeyLLUBNVPOWFLMEO-NSHDSACASA-N
MW257.35 g/mol
LogP1.30
Rot. Bonds6

About 4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide

4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 67276511) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID67276511
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H](CC)CO)cc1
InChIInChI=1S/C12H19NO3S/c1-3-10-5-7-12(8-6-10)17(15,16)13-11(4-2)9-14/h5-8,11,13-14H,3-4,9H2,1-2H3/t11-/m0/s1
InChIKeyLLUBNVPOWFLMEO-NSHDSACASA-N
XLogP1.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 104981895
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948
4-(cyanomethyl)-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 103918588
4-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501748
N-(1-hydroxybutan-2-yl)-4-propanoylbenzenesulfonamide
CID 82164437
2-N,6-N-bis(1-hydroxybutan-2-yl)-9,10-dioxoanthracene-2,6-disulfonamide
CID 4568672
4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 22711687
N-(1-hydroxybutan-2-yl)-4-(4-nitrophenyl)benzenesulfonamide
CID 110454194
N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 104981860
4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 106032195
N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide
CID 61246381
N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 51697625

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 67276511) is 4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)N[C@@H](CC)CO)cc1.
What is the InChIKey of 4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is LLUBNVPOWFLMEO-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-10-5-7-12(8-6-10)17(15,16)13-11(4-2)9-14/h5-8,11,13-14H,3-4,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 67276511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).