N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide

C22H26N6O2S — CID 118166837

IUPACN-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1)C1CC1
InChIInChI=1S/C22H26N6O2S/c29-31(30,22-9-10-22)24-18-5-4-8-21(15-18)27-13-11-26(12-14-27)16-19-17-28(25-23-19)20-6-2-1-3-7-20/h1-8,15,17,22,24H,9-14,16H2
InChIKeyXBEYBVOUYXXFOQ-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.49
Rot. Bonds7

About N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide

N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide (PubChem CID 118166837) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide
PubChem CID118166837
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC NameN-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1)C1CC1
InChIInChI=1S/C22H26N6O2S/c29-31(30,22-9-10-22)24-18-5-4-8-21(15-18)27-13-11-26(12-14-27)16-19-17-28(25-23-19)20-6-2-1-3-7-20/h1-8,15,17,22,24H,9-14,16H2
InChIKeyXBEYBVOUYXXFOQ-UHFFFAOYSA-N
XLogP2.49
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-[[1-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methyl]piperazin-1-yl]phenyl]methanesulfonamide
CID 118166947
1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine
CID 154817894
N-[3-[(3S,4R)-3-cyclobutyloxy-1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenyl]propane-2-sulfonamide
CID 155107720
(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95610792
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide
CID 118173523
3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine
CID 119924639
1-(3,5-dimethylphenyl)-4-[(1-phenyltriazol-4-yl)methyl]piperazin-2-one
CID 56891187
3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-5-[(sulfinoamino)methyl]pyridine
CID 155092225
(2R)-1-[(2R)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602343
[(1R,2R)-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate
CID 46862517
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-phenyltriazole-4-carboxamide
CID 46431818

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide (CID 118166837) is N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide is O=S(=O)(Nc1cccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1)C1CC1.
What is the InChIKey of N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide?
The InChIKey is XBEYBVOUYXXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c29-31(30,22-9-10-22)24-18-5-4-8-21(15-18)27-13-11-26(12-14-27)16-19-17-28(25-23-19)20-6-2-1-3-7-20/h1-8,15,17,22,24H,9-14,16H2.
What are the key properties of N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide?
N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 438.56 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 118166837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).