3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide

C12H14N2O3S — CID 66007403

IUPAC3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCC2CC(O)C2)c1
InChIInChI=1S/C12H14N2O3S/c13-7-9-2-1-3-12(6-9)18(16,17)14-8-10-4-11(15)5-10/h1-3,6,10-11,14-15H,4-5,8H2
InChIKeyLNPWFMGMVQKMCB-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.61
Rot. Bonds4

About 3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide

3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (PubChem CID 66007403) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
PubChem CID66007403
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCC2CC(O)C2)c1
InChIInChI=1S/C12H14N2O3S/c13-7-9-2-1-3-12(6-9)18(16,17)14-8-10-4-11(15)5-10/h1-3,6,10-11,14-15H,4-5,8H2
InChIKeyLNPWFMGMVQKMCB-UHFFFAOYSA-N
XLogP0.61
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
3-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]benzenesulfonamide
CID 47023234
2-chloro-5-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 80704097
4-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 106997288
3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103659810
N-(1-adamantylmethyl)-3-cyanobenzenesulfonamide
CID 7509882
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
3-cyano-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238144
3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 75399111
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727914
4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 79185566

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (CID 66007403) is 3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCC2CC(O)C2)c1.
What is the InChIKey of 3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The InChIKey is LNPWFMGMVQKMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c13-7-9-2-1-3-12(6-9)18(16,17)14-8-10-4-11(15)5-10/h1-3,6,10-11,14-15H,4-5,8H2.
What are the key properties of 3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 66007403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).