N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide

C12H19NO5S — CID 51697625

IUPACN-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO5S/c1-4-9(8-14)13-19(15,16)10-5-6-11(17-2)12(7-10)18-3/h5-7,9,13-14H,4,8H2,1-3H3/t9-/m1/s1
InChIKeyGCHBMZSWEKZKKZ-SECBINFHSA-N
MW289.35 g/mol
LogP0.75
Rot. Bonds7

About N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide

N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 51697625) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
PubChem CID51697625
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO5S/c1-4-9(8-14)13-19(15,16)10-5-6-11(17-2)12(7-10)18-3/h5-7,9,13-14H,4,8H2,1-3H3/t9-/m1/s1
InChIKeyGCHBMZSWEKZKKZ-SECBINFHSA-N
XLogP0.75
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-hydroxybutan-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 43498968
3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501581
N-[5-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104981838
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
2-N,6-N-bis(1-hydroxybutan-2-yl)-9,10-dioxoanthracene-2,6-disulfonamide
CID 4568672
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165
N-(1,3-dihydroxypropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 65314295
3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide
CID 20649447
4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032010

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide (CID 51697625) is N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide is CC[C@H](CO)NS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is GCHBMZSWEKZKKZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H19NO5S/c1-4-9(8-14)13-19(15,16)10-5-6-11(17-2)12(7-10)18-3/h5-7,9,13-14H,4,8H2,1-3H3/t9-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide?
N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 289.35 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 51697625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).