N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide

C17H23N5O3S — CID 42362609

IUPACN-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
SMILESCN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H23N5O3S/c1-20(26(24,25)15-8-4-2-5-9-15)12-13-22-14-16(18-19-22)17(23)21-10-6-3-7-11-21/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyXACJBSDPUNHHJS-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.22
Rot. Bonds6

About N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide

N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 42362609) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
PubChem CID42362609
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
SMILESCN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H23N5O3S/c1-20(26(24,25)15-8-4-2-5-9-15)12-13-22-14-16(18-19-22)17(23)21-10-6-3-7-11-21/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyXACJBSDPUNHHJS-UHFFFAOYSA-N
XLogP1.22
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide
CID 42325551
3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
CID 25291034
2-[4-(azepane-1-carbonyl)triazol-1-yl]acetic acid
CID 66288731
N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
[1-[2-[(3-ethoxy-2-hydroxyphenyl)methyl-methylamino]ethyl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42274447
[1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42468640
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61442683
N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide
CID 42321320
[4-(benzenesulfonyl)piperazin-1-yl]-(1-benzyltriazol-4-yl)methanone
CID 31769999
[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42112383
2-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39487776
1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
CID 43267317

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide (CID 42362609) is N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide is CN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is XACJBSDPUNHHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-20(26(24,25)15-8-4-2-5-9-15)12-13-22-14-16(18-19-22)17(23)21-10-6-3-7-11-21/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3.
What are the key properties of N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide?
N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 42362609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).