N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide

C12H19NO3S — CID 103463059

IUPACN-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C12H19NO3S/c1-4-12(2,3)9-13-17(15,16)11-7-5-6-10(14)8-11/h5-8,13-14H,4,9H2,1-3H3
InChIKeyWARZMKRRHMEWPN-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.11
Rot. Bonds5

About N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide

N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide (PubChem CID 103463059) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide
PubChem CID103463059
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C12H19NO3S/c1-4-12(2,3)9-13-17(15,16)11-7-5-6-10(14)8-11/h5-8,13-14H,4,9H2,1-3H3
InChIKeyWARZMKRRHMEWPN-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103461066
ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258635
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106340026
N-(cyclobutylmethyl)-3-hydroxybenzenesulfonamide
CID 81259195
N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362987
N-(4-hydroxy-2,2-dimethylbutyl)-3-propanoylbenzenesulfonamide
CID 103836509
3-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 81259149
N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide
CID 114108635
3-hydroxy-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 114128483
N-(3-hydroxyphenyl)sulfonylacetamide
CID 59267686
N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103461134

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide (CID 103463059) is N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide is CCC(C)(C)CNS(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide?
The InChIKey is WARZMKRRHMEWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-12(2,3)9-13-17(15,16)11-7-5-6-10(14)8-11/h5-8,13-14H,4,9H2,1-3H3.
What are the key properties of N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide?
N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 103463059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).