N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide

C12H17NO3S — CID 114108635

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide
SMILESCC1(C)CC1CNS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C12H17NO3S/c1-12(2)7-9(12)8-13-17(15,16)11-5-3-4-10(14)6-11/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyWUNNFGYRCYAEQD-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.72
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide

N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide (PubChem CID 114108635) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide
PubChem CID114108635
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide
SMILESCC1(C)CC1CNS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C12H17NO3S/c1-12(2)7-9(12)8-13-17(15,16)11-5-3-4-10(14)6-11/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyWUNNFGYRCYAEQD-UHFFFAOYSA-N
XLogP1.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103659810
N-(cyclobutylmethyl)-3-hydroxybenzenesulfonamide
CID 81259195
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide
CID 105419464
4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103721136
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106340026
N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide
CID 103463059
3-hydroxy-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 114128483
ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258635
N-(3-hydroxyphenyl)sulfonylacetamide
CID 59267686
N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 171387546
3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 81259081

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide (CID 114108635) is N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide is CC1(C)CC1CNS(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide?
The InChIKey is WUNNFGYRCYAEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-12(2)7-9(12)8-13-17(15,16)11-5-3-4-10(14)6-11/h3-6,9,13-14H,7-8H2,1-2H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide?
N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 114108635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).