N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide

C23H25ClN2O5S — CID 38376348

IUPACN-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C23H25ClN2O5S/c1-2-12-26(21-9-4-3-8-20(21)24)32(28,29)19-7-5-6-18(17-19)22(27)25-13-10-23(11-14-25)30-15-16-31-23/h2-9,17H,1,10-16H2
InChIKeyXJKMAHWMZPRPCN-UHFFFAOYSA-N
MW476.98 g/mol
LogP3.70
Rot. Bonds6

About N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide

N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 38376348) has the molecular formula C23H25ClN2O5S and a molecular weight of 476.98 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID38376348
Molecular FormulaC23H25ClN2O5S
Molecular Weight476.98 g/mol
Exact Mass476.12
IUPAC NameN-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C23H25ClN2O5S/c1-2-12-26(21-9-4-3-8-20(21)24)32(28,29)19-7-5-6-18(17-19)22(27)25-13-10-23(11-14-25)30-15-16-31-23/h2-9,17H,1,10-16H2
InChIKeyXJKMAHWMZPRPCN-UHFFFAOYSA-N
XLogP3.70
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.98
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide
CID 55781310
N-(2-chlorophenyl)-3-(3-methylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 86878865
N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 17438653
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 26888500
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 71910625
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 39735531
N-(2-chlorophenyl)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 30131964
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 2496817
(4-cyanophenyl) 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2409931
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 55339846
N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4636977

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide (CID 38376348) is N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is XJKMAHWMZPRPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5S/c1-2-12-26(21-9-4-3-8-20(21)24)32(28,29)19-7-5-6-18(17-19)22(27)25-13-10-23(11-14-25)30-15-16-31-23/h2-9,17H,1,10-16H2.
What are the key properties of N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide?
N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 476.98 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 38376348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).