2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide

C14H17Cl2NO4S — CID 18583966

IUPAC2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1COC2(CCCC2)O1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2NO4S/c15-10-3-4-12(16)13(7-10)22(18,19)17-8-11-9-20-14(21-11)5-1-2-6-14/h3-4,7,11,17H,1-2,5-6,8-9H2
InChIKeyVEPWAAKZPKRESB-UHFFFAOYSA-N
MW366.27 g/mol
LogP2.96
Rot. Bonds4

About 2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide

2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide (PubChem CID 18583966) has the molecular formula C14H17Cl2NO4S and a molecular weight of 366.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide
PubChem CID18583966
Molecular FormulaC14H17Cl2NO4S
Molecular Weight366.27 g/mol
Exact Mass365.03
IUPAC Name2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1COC2(CCCC2)O1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2NO4S/c15-10-3-4-12(16)13(7-10)22(18,19)17-8-11-9-20-14(21-11)5-1-2-6-14/h3-4,7,11,17H,1-2,5-6,8-9H2
InChIKeyVEPWAAKZPKRESB-UHFFFAOYSA-N
XLogP2.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2842741
3-chloro-N-[[(4S)-1,3-dioxolan-4-yl]methyl]-5-fluorobenzenesulfonamide
CID 164630836
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-4-chlorobenzenesulfonamide
CID 16800173
3-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-fluorobenzenesulfonamide
CID 75399530
3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 97256546
3-chloro-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 97256547
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide
CID 103815251
3-chloro-N-(1,3-dioxolan-4-ylmethyl)-5-fluorobenzenesulfonamide
CID 126823225
2,5-dichloro-N-[3-(propan-2-yloxy)propyl]benzenesulfonamide
CID 2211657
4-chloro-N-({1,4-dioxaspiro[4.4]nonan-2-yl}methyl)benzene-1-sulfonamide
CID 16800181
N-{[(4R,5R)-5-(Aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-2,4-dichlorobenzenesulfonamide
CID 68928852
2,5-dichloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 755484

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide (CID 18583966) is 2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1COC2(CCCC2)O1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide?
The InChIKey is VEPWAAKZPKRESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO4S/c15-10-3-4-12(16)13(7-10)22(18,19)17-8-11-9-20-14(21-11)5-1-2-6-14/h3-4,7,11,17H,1-2,5-6,8-9H2.
What are the key properties of 2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide?
2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide has a molecular weight of 366.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 18583966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).