3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide

C21H26N6O2S — CID 24737617

IUPAC3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCCN2CCN(c3nccc4c3NCCC4)CC2)c1
InChIInChI=1S/C21H26N6O2S/c22-16-17-3-1-5-19(15-17)30(28,29)25-9-10-26-11-13-27(14-12-26)21-20-18(6-8-24-21)4-2-7-23-20/h1,3,5-6,8,15,23,25H,2,4,7,9-14H2
InChIKeyOMQGANXQWBECFQ-UHFFFAOYSA-N
MW426.55 g/mol
LogP1.41
Rot. Bonds6

About 3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide

3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 24737617) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide
PubChem CID24737617
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCCN2CCN(c3nccc4c3NCCC4)CC2)c1
InChIInChI=1S/C21H26N6O2S/c22-16-17-3-1-5-19(15-17)30(28,29)25-9-10-26-11-13-27(14-12-26)21-20-18(6-8-24-21)4-2-7-23-20/h1,3,5-6,8,15,23,25H,2,4,7,9-14H2
InChIKeyOMQGANXQWBECFQ-UHFFFAOYSA-N
XLogP1.41
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyano-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994501
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
3-cyano-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzenesulfonamide
CID 55766600
N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 167898519
N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 61461227
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 26542199
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266
3-(2-pyrrolidin-1-ylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958196
3-bromo-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599810
3-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 103883848

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide (CID 24737617) is 3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCCN2CCN(c3nccc4c3NCCC4)CC2)c1.
What is the InChIKey of 3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is OMQGANXQWBECFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c22-16-17-3-1-5-19(15-17)30(28,29)25-9-10-26-11-13-27(14-12-26)21-20-18(6-8-24-21)4-2-7-23-20/h1,3,5-6,8,15,23,25H,2,4,7,9-14H2.
What are the key properties of 3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide?
3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 426.55 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 24737617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).