4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide

C14H18ClN5O3S — CID 25095933

IUPAC4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCc1cn[nH]n1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClN5O3S/c15-11-1-3-13(4-2-11)23-14-5-7-20(8-6-14)24(21,22)17-10-12-9-16-19-18-12/h1-4,9,14,17H,5-8,10H2,(H,16,18,19)
InChIKeyDXVBSNKBLRJPGN-UHFFFAOYSA-N
MW371.85 g/mol
LogP1.34
Rot. Bonds6

About 4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide

4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide (PubChem CID 25095933) has the molecular formula C14H18ClN5O3S and a molecular weight of 371.85 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide
PubChem CID25095933
Molecular FormulaC14H18ClN5O3S
Molecular Weight371.85 g/mol
Exact Mass371.08
IUPAC Name4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCc1cn[nH]n1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClN5O3S/c15-11-1-3-13(4-2-11)23-14-5-7-20(8-6-14)24(21,22)17-10-12-9-16-19-18-12/h1-4,9,14,17H,5-8,10H2,(H,16,18,19)
InChIKeyDXVBSNKBLRJPGN-UHFFFAOYSA-N
XLogP1.34
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(4-chlorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133502
4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine
CID 142646745
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
N-[(4-chlorophenyl)methyl]-4-cyclopentyloxybenzenesulfonamide
CID 113098120
4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
CID 143698369
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
N-[(4-chlorophenyl)methyl]morpholine-4-sulfonamide
CID 51335123
N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide
CID 47149085
[4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone
CID 166281491
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 67168484

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide (CID 25095933) is 4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide is O=S(=O)(NCc1cn[nH]n1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is DXVBSNKBLRJPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O3S/c15-11-1-3-13(4-2-11)23-14-5-7-20(8-6-14)24(21,22)17-10-12-9-16-19-18-12/h1-4,9,14,17H,5-8,10H2,(H,16,18,19).
What are the key properties of 4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide?
4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 371.85 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 25095933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).