N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide

C11H17NO3S — CID 97051720

IUPACN-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide
SMILESC[C@H](CCCO)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-10(6-5-9-13)12-16(14,15)11-7-3-2-4-8-11/h2-4,7-8,10,12-13H,5-6,9H2,1H3/t10-/m1/s1
InChIKeyGTSVPVMIAWDYKJ-SNVBAGLBSA-N
MW243.33 g/mol
LogP1.13
Rot. Bonds6

About N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide

N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide (PubChem CID 97051720) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide
PubChem CID97051720
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide
SMILESC[C@H](CCCO)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-10(6-5-9-13)12-16(14,15)11-7-3-2-4-8-11/h2-4,7-8,10,12-13H,5-6,9H2,1H3/t10-/m1/s1
InChIKeyGTSVPVMIAWDYKJ-SNVBAGLBSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide
CID 100675221
4-(heptan-2-ylsulfamoyl)benzoic acid
CID 43420676
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475
N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 115477930
4-(pentan-2-ylsulfamoyl)benzoic acid
CID 18073108
N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide
CID 3679423
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
CID 82855096
N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316
6-[(4-bromophenyl)sulfonylamino]-2-methylheptanoic acid
CID 65284826

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide (CID 97051720) is N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide is C[C@H](CCCO)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide?
The InChIKey is GTSVPVMIAWDYKJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-10(6-5-9-13)12-16(14,15)11-7-3-2-4-8-11/h2-4,7-8,10,12-13H,5-6,9H2,1H3/t10-/m1/s1.
What are the key properties of N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide?
N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 97051720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).