2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

C18H25ClN2O5S — CID 55485002

IUPAC2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C18H25ClN2O5S/c1-25-14-6-8-21(9-7-14)18(22)13-4-5-16(19)17(11-13)27(23,24)20-12-15-3-2-10-26-15/h4-5,11,14-15,20H,2-3,6-10,12H2,1H3
InChIKeyOOGIURPHXJFDJS-UHFFFAOYSA-N
MW416.93 g/mol
LogP2.05
Rot. Bonds6

About 2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 55485002) has the molecular formula C18H25ClN2O5S and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID55485002
Molecular FormulaC18H25ClN2O5S
Molecular Weight416.93 g/mol
Exact Mass416.12
IUPAC Name2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C18H25ClN2O5S/c1-25-14-6-8-21(9-7-14)18(22)13-4-5-16(19)17(11-13)27(23,24)20-12-15-3-2-10-26-15/h4-5,11,14-15,20H,2-3,6-10,12H2,1H3
InChIKeyOOGIURPHXJFDJS-UHFFFAOYSA-N
XLogP2.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
[1-(azepan-1-yl)-1-oxopropan-2-yl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55422049
2-chloro-N-(oxolan-2-ylmethyl)-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55513446
2-chloro-5-[(3-methylbutanoylamino)carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46514467
methyl 3-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812444
methyl 3-chloro-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812443
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55366048
4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514436
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
propan-2-yl 2-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]acetate
CID 56547063
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 55485002) is 2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is COC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)CC1.
What is the InChIKey of 2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is OOGIURPHXJFDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O5S/c1-25-14-6-8-21(9-7-14)18(22)13-4-5-16(19)17(11-13)27(23,24)20-12-15-3-2-10-26-15/h4-5,11,14-15,20H,2-3,6-10,12H2,1H3.
What are the key properties of 2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 416.93 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methoxypiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55485002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).