N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide

C17H21N5O3S — CID 166259809

IUPACN-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)C1CC1)N1CCCC(n2nccn2)C1
InChIInChI=1S/C17H21N5O3S/c23-17(21-11-3-4-13(12-21)22-18-9-10-19-22)15-5-1-2-6-16(15)20-26(24,25)14-7-8-14/h1-2,5-6,9-10,13-14,20H,3-4,7-8,11-12H2
InChIKeyLTLALWOLSYSYAD-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.66
Rot. Bonds5

About N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide

N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide (PubChem CID 166259809) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
PubChem CID166259809
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC NameN-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)C1CC1)N1CCCC(n2nccn2)C1
InChIInChI=1S/C17H21N5O3S/c23-17(21-11-3-4-13(12-21)22-18-9-10-19-22)15-5-1-2-6-16(15)20-26(24,25)14-7-8-14/h1-2,5-6,9-10,13-14,20H,3-4,7-8,11-12H2
InChIKeyLTLALWOLSYSYAD-UHFFFAOYSA-N
XLogP1.66
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
CID 154866172
N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 51096518
(2-ethylsulfanylphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178535
(3S)-1-[2-(ethylsulfonylamino)benzoyl]piperidine-3-carboxylic acid
CID 119174076
ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 51163973
N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119398279
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 33170416
1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
CID 84594683
N-phenyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 75476115
2-[(1,1-dioxothian-4-yl)sulfonylamino]benzoic acid
CID 62084938
3,4-dichloro-N-[2-(3-methylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 86878824

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide (CID 166259809) is N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide is O=C(c1ccccc1NS(=O)(=O)C1CC1)N1CCCC(n2nccn2)C1.
What is the InChIKey of N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide?
The InChIKey is LTLALWOLSYSYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c23-17(21-11-3-4-13(12-21)22-18-9-10-19-22)15-5-1-2-6-16(15)20-26(24,25)14-7-8-14/h1-2,5-6,9-10,13-14,20H,3-4,7-8,11-12H2.
What are the key properties of N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide?
N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 166259809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).