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

C12H19NO3S — CID 79023963

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC(CO)C(C)C
InChIInChI=1S/C12H19NO3S/c1-9(2)11(8-14)13-17(15,16)12-7-5-4-6-10(12)3/h4-7,9,11,13-14H,8H2,1-3H3
InChIKeyJNLTWBKEEAVTQO-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.29
Rot. Bonds5

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

N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide (PubChem CID 79023963) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
PubChem CID79023963
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC(CO)C(C)C
InChIInChI=1S/C12H19NO3S/c1-9(2)11(8-14)13-17(15,16)12-7-5-4-6-10(12)3/h4-7,9,11,13-14H,8H2,1-3H3
InChIKeyJNLTWBKEEAVTQO-UHFFFAOYSA-N
XLogP1.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
N-(1-chloro-4-methylpentan-3-yl)-2-methylbenzenesulfonamide
CID 106356413
(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 80750989
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzenesulfonamide
CID 79248112
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 79247641
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]-2,4-dimethylbenzoic acid
CID 79237151
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-6-nitrobenzenesulfonamide
CID 79256063
N-(1-hydroxy-4-methoxybutan-2-yl)-2-methylbenzenesulfonamide
CID 114211608
2-methyl-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]benzenesulfonamide
CID 125486356
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79588527

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide (CID 79023963) is N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is JNLTWBKEEAVTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(2)11(8-14)13-17(15,16)12-7-5-4-6-10(12)3/h4-7,9,11,13-14H,8H2,1-3H3.
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.29, 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)-2-methylbenzenesulfonamide is sourced from PubChem (CID 79023963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).