N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

C11H17NO3S — CID 73191893

IUPACN-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-9(2)11(8-13)12-16(14,15)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3
InChIKeyRCPFZNDURWPOJS-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.98
Rot. Bonds5

About N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 73191893) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID73191893
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-9(2)11(8-13)12-16(14,15)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3
InChIKeyRCPFZNDURWPOJS-UHFFFAOYSA-N
XLogP0.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 118863079
N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 79256160
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
CID 79255723
N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide
CID 154511654
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]phenoxy]acetic acid
CID 79236547
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79254992
3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 21078673
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
4-cyano-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]benzenesulfonamide
CID 97239362
N-[(2R,3S)-1,4-dihydroxy-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11437252

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (CID 73191893) is N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(CO)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is RCPFZNDURWPOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9(2)11(8-13)12-16(14,15)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3.
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 73191893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).