4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide

C15H20ClN5O2S — CID 72861214

IUPAC4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1cc(C2CCCNC2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN5O2S/c16-13-3-5-14(6-4-13)24(22,23)18-8-9-21-11-15(19-20-21)12-2-1-7-17-10-12/h3-6,11-12,17-18H,1-2,7-10H2
InChIKeyZDQMIYHYZAWDLL-UHFFFAOYSA-N
MW369.88 g/mol
LogP1.38
Rot. Bonds6

About 4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide

4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 72861214) has the molecular formula C15H20ClN5O2S and a molecular weight of 369.88 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide
PubChem CID72861214
Molecular FormulaC15H20ClN5O2S
Molecular Weight369.88 g/mol
Exact Mass369.10
IUPAC Name4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1cc(C2CCCNC2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN5O2S/c16-13-3-5-14(6-4-13)24(22,23)18-8-9-21-11-15(19-20-21)12-2-1-7-17-10-12/h3-6,11-12,17-18H,1-2,7-10H2
InChIKeyZDQMIYHYZAWDLL-UHFFFAOYSA-N
XLogP1.38
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
(3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine
CID 97195843
3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine
CID 72877858
3-[2-[4-[(3S)-piperidin-3-yl]triazol-1-yl]ethyl]-2H-phthalazine-1,4-dione
CID 97195182
3-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]-2H-phthalazine-1,4-dione;hydrochloride
CID 154900018
4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide
CID 57202265
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650722
4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207459
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 3527050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide (CID 72861214) is 4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCn1cc(C2CCCNC2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is ZDQMIYHYZAWDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2S/c16-13-3-5-14(6-4-13)24(22,23)18-8-9-21-11-15(19-20-21)12-2-1-7-17-10-12/h3-6,11-12,17-18H,1-2,7-10H2.
What are the key properties of 4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 369.88 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 72861214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).