3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide

C18H24ClN5O3S — CID 25291034

IUPAC3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(C)CCn1cc(C(=O)N2CCCCC2)nn1
InChIInChI=1S/C18H24ClN5O3S/c1-14-15(19)7-6-8-17(14)28(26,27)22(2)11-12-24-13-16(20-21-24)18(25)23-9-4-3-5-10-23/h6-8,13H,3-5,9-12H2,1-2H3
InChIKeyVPZYASTXTOLJNO-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.19
Rot. Bonds6

About 3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide

3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 25291034) has the molecular formula C18H24ClN5O3S and a molecular weight of 425.94 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
PubChem CID25291034
Molecular FormulaC18H24ClN5O3S
Molecular Weight425.94 g/mol
Exact Mass425.13
IUPAC Name3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(C)CCn1cc(C(=O)N2CCCCC2)nn1
InChIInChI=1S/C18H24ClN5O3S/c1-14-15(19)7-6-8-17(14)28(26,27)22(2)11-12-24-13-16(20-21-24)18(25)23-9-4-3-5-10-23/h6-8,13H,3-5,9-12H2,1-2H3
InChIKeyVPZYASTXTOLJNO-UHFFFAOYSA-N
XLogP2.19
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
CID 42362609
(E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide
CID 42325551
[1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42468640
[1-[2-[(3-ethoxy-2-hydroxyphenyl)methyl-methylamino]ethyl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42274447
2-[4-(azepane-1-carbonyl)triazol-1-yl]acetic acid
CID 66288731
3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide
CID 42189042
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61442683
4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide
CID 39634418
azepan-1-yl-[1-(3-chlorophenyl)triazol-4-yl]methanone
CID 20973782
2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide
CID 42164515
N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide
CID 42321320
azepan-1-yl-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 42189413

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide (CID 25291034) is 3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)N(C)CCn1cc(C(=O)N2CCCCC2)nn1.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is VPZYASTXTOLJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O3S/c1-14-15(19)7-6-8-17(14)28(26,27)22(2)11-12-24-13-16(20-21-24)18(25)23-9-4-3-5-10-23/h6-8,13H,3-5,9-12H2,1-2H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide?
3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 425.94 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 25291034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).