N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide

C13H16Cl2N2O2S — CID 140937028

IUPACN-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NC1CC12CCNCC2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2S/c14-9-5-10(15)7-11(6-9)20(18,19)17-12-8-13(12)1-3-16-4-2-13/h5-7,12,16-17H,1-4,8H2
InChIKeyDTDNNSINBPKRDQ-UHFFFAOYSA-N
MW335.26 g/mol
LogP2.41
Rot. Bonds3

About N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide

N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide (PubChem CID 140937028) has the molecular formula C13H16Cl2N2O2S and a molecular weight of 335.26 g/mol. Its IUPAC name is N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide
PubChem CID140937028
Molecular FormulaC13H16Cl2N2O2S
Molecular Weight335.26 g/mol
Exact Mass334.03
IUPAC NameN-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NC1CC12CCNCC2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2S/c14-9-5-10(15)7-11(6-9)20(18,19)17-12-8-13(12)1-3-16-4-2-13/h5-7,12,16-17H,1-4,8H2
InChIKeyDTDNNSINBPKRDQ-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-cyclopropylbenzenesulfonamide
CID 26947993
N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide
CID 114297364
3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599808
8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 67480503
3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one
CID 159426534
4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 113288425
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409
N-[2-(bromomethyl)cyclohexyl]-3,5-dichlorobenzenesulfonamide
CID 106367660
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide
CID 128586564
3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63043849
1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride
CID 120720466

Frequently Asked Questions

What is the IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide (CID 140937028) is N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide is O=S(=O)(NC1CC12CCNCC2)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide?
The InChIKey is DTDNNSINBPKRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2S/c14-9-5-10(15)7-11(6-9)20(18,19)17-12-8-13(12)1-3-16-4-2-13/h5-7,12,16-17H,1-4,8H2.
What are the key properties of N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide?
N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide has a molecular weight of 335.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 140937028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).