3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide

C14H15ClN2O3S — CID 126826642

IUPAC3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CC(O)C23CCC3)cc1Cl
InChIInChI=1S/C14H15ClN2O3S/c15-11-6-10(3-2-9(11)8-16)21(19,20)17-12-7-13(18)14(12)4-1-5-14/h2-3,6,12-13,17-18H,1,4-5,7H2
InChIKeyYWEKBJYMZUEREX-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.79
Rot. Bonds3

About 3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide

3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide (PubChem CID 126826642) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide
PubChem CID126826642
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CC(O)C23CCC3)cc1Cl
InChIInChI=1S/C14H15ClN2O3S/c15-11-6-10(3-2-9(11)8-16)21(19,20)17-12-7-13(18)14(12)4-1-5-14/h2-3,6,12-13,17-18H,1,4-5,7H2
InChIKeyYWEKBJYMZUEREX-UHFFFAOYSA-N
XLogP1.79
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737647
1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 115776568
3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
CID 112689807
3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide
CID 115673536
3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 115674549
3-chloro-4-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 107270940
3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902881
3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
CID 115638510
3-chloro-4-cyano-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982589
3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 112703665
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964435

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide (CID 126826642) is 3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2CC(O)C23CCC3)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide?
The InChIKey is YWEKBJYMZUEREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c15-11-6-10(3-2-9(11)8-16)21(19,20)17-12-7-13(18)14(12)4-1-5-14/h2-3,6,12-13,17-18H,1,4-5,7H2.
What are the key properties of 3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide?
3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide is sourced from PubChem (CID 126826642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).