N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide

C14H19ClN6O2S — CID 118165381

IUPACN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide
SMILESNc1nc(N2CCC(NS(=O)(=O)Cc3ccc(Cl)cc3)CC2)n[nH]1
InChIInChI=1S/C14H19ClN6O2S/c15-11-3-1-10(2-4-11)9-24(22,23)20-12-5-7-21(8-6-12)14-17-13(16)18-19-14/h1-4,12,20H,5-9H2,(H3,16,17,18,19)
InChIKeyHGFQHKGFYQRTFD-UHFFFAOYSA-N
MW370.87 g/mol
LogP1.13
Rot. Bonds5

About N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide

N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide (PubChem CID 118165381) has the molecular formula C14H19ClN6O2S and a molecular weight of 370.87 g/mol. Its IUPAC name is N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide
PubChem CID118165381
Molecular FormulaC14H19ClN6O2S
Molecular Weight370.87 g/mol
Exact Mass370.10
IUPAC NameN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide
SMILESNc1nc(N2CCC(NS(=O)(=O)Cc3ccc(Cl)cc3)CC2)n[nH]1
InChIInChI=1S/C14H19ClN6O2S/c15-11-3-1-10(2-4-11)9-24(22,23)20-12-5-7-21(8-6-12)14-17-13(16)18-19-14/h1-4,12,20H,5-9H2,(H3,16,17,18,19)
InChIKeyHGFQHKGFYQRTFD-UHFFFAOYSA-N
XLogP1.13
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide (CID 118165381) is N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide is Nc1nc(N2CCC(NS(=O)(=O)Cc3ccc(Cl)cc3)CC2)n[nH]1.
What is the InChIKey of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide?
The InChIKey is HGFQHKGFYQRTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O2S/c15-11-3-1-10(2-4-11)9-24(22,23)20-12-5-7-21(8-6-12)14-17-13(16)18-19-14/h1-4,12,20H,5-9H2,(H3,16,17,18,19).
What are the key properties of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide?
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide has a molecular weight of 370.87 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 118165381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).