N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide

C15H18ClN3O3S — CID 154883057

IUPACN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCN(c2nc3cc(Cl)ccc3o2)CC1)C1CC1
InChIInChI=1S/C15H18ClN3O3S/c16-10-1-4-14-13(9-10)17-15(22-14)19-7-5-11(6-8-19)18-23(20,21)12-2-3-12/h1,4,9,11-12,18H,2-3,5-8H2
InChIKeyCMTNVFZSKXHFGM-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide

N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide (PubChem CID 154883057) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
PubChem CID154883057
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC NameN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCN(c2nc3cc(Cl)ccc3o2)CC1)C1CC1
InChIInChI=1S/C15H18ClN3O3S/c16-10-1-4-14-13(9-10)17-15(22-14)19-7-5-11(6-8-19)18-23(20,21)12-2-3-12/h1,4,9,11-12,18H,2-3,5-8H2
InChIKeyCMTNVFZSKXHFGM-UHFFFAOYSA-N
XLogP2.53
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 166603296
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432232
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 167081478
4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide
CID 71520912
ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169
5-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 163367580
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide
CID 129373214
N-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-methylsulfonylbenzamide
CID 163367708
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide
CID 167081487

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide (CID 154883057) is N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCN(c2nc3cc(Cl)ccc3o2)CC1)C1CC1.
What is the InChIKey of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide?
The InChIKey is CMTNVFZSKXHFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c16-10-1-4-14-13(9-10)17-15(22-14)19-7-5-11(6-8-19)18-23(20,21)12-2-3-12/h1,4,9,11-12,18H,2-3,5-8H2.
What are the key properties of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide?
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide has a molecular weight of 355.85 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 154883057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).