N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide

C12H17NO4S — CID 115753878

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC1(O)CCC1
InChIInChI=1S/C12H17NO4S/c1-17-10-5-2-3-6-11(10)18(15,16)13-9-12(14)7-4-8-12/h2-3,5-6,13-14H,4,7-9H2,1H3
InChIKeyWWHYGPSMVUXDBY-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.89
Rot. Bonds5

About N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide

N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 115753878) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
PubChem CID115753878
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC1(O)CCC1
InChIInChI=1S/C12H17NO4S/c1-17-10-5-2-3-6-11(10)18(15,16)13-9-12(14)7-4-8-12/h2-3,5-6,13-14H,4,7-9H2,1H3
InChIKeyWWHYGPSMVUXDBY-UHFFFAOYSA-N
XLogP0.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-hydroxycyclobutyl)methylsulfamoyl]-3-methoxybenzoic acid
CID 102695513
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzenesulfonamide
CID 55477227
1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
CID 131701666
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 71788940
2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122738
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122736
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64910766
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide
CID 65122114

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide (CID 115753878) is N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is WWHYGPSMVUXDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-17-10-5-2-3-6-11(10)18(15,16)13-9-12(14)7-4-8-12/h2-3,5-6,13-14H,4,7-9H2,1H3.
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide?
N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 115753878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).