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

C15H21ClN6O2S — CID 118165697

IUPACN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(3-chlorophenyl)-N-methylmethanesulfonamide
SMILESCN(C1CCN(c2n[nH]c(N)n2)CC1)S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN6O2S/c1-21(25(23,24)10-11-3-2-4-12(16)9-11)13-5-7-22(8-6-13)15-18-14(17)19-20-15/h2-4,9,13H,5-8,10H2,1H3,(H3,17,18,19,20)
InChIKeyAQKFSSOELFZUBJ-UHFFFAOYSA-N
MW384.89 g/mol
LogP1.47
Rot. Bonds5

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

N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(3-chlorophenyl)-N-methylmethanesulfonamide (PubChem CID 118165697) has the molecular formula C15H21ClN6O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(3-chlorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(3-chlorophenyl)-N-methylmethanesulfonamide
PubChem CID118165697
Molecular FormulaC15H21ClN6O2S
Molecular Weight384.89 g/mol
Exact Mass384.11
IUPAC NameN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(3-chlorophenyl)-N-methylmethanesulfonamide
SMILESCN(C1CCN(c2n[nH]c(N)n2)CC1)S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN6O2S/c1-21(25(23,24)10-11-3-2-4-12(16)9-11)13-5-7-22(8-6-13)15-18-14(17)19-20-15/h2-4,9,13H,5-8,10H2,1H3,(H3,17,18,19,20)
InChIKeyAQKFSSOELFZUBJ-UHFFFAOYSA-N
XLogP1.47
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 51.47
H-Bond Donors ≤ 52
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-(3-chlorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(3-chlorophenyl)-N-methylmethanesulfonamide (CID 118165697) is N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(3-chlorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(3-chlorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(3-chlorophenyl)-N-methylmethanesulfonamide is CN(C1CCN(c2n[nH]c(N)n2)CC1)S(=O)(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(3-chlorophenyl)-N-methylmethanesulfonamide?
The InChIKey is AQKFSSOELFZUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O2S/c1-21(25(23,24)10-11-3-2-4-12(16)9-11)13-5-7-22(8-6-13)15-18-14(17)19-20-15/h2-4,9,13H,5-8,10H2,1H3,(H3,17,18,19,20).
What are the key properties of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(3-chlorophenyl)-N-methylmethanesulfonamide?
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(3-chlorophenyl)-N-methylmethanesulfonamide has a molecular weight of 384.89 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 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-(3-chlorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 118165697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).