N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

C17H27N5O2S — CID 11772959

IUPACN-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2n[nH]c(N)n2)c(C(C)C)c1
InChIInChI=1S/C17H27N5O2S/c1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)25(23,24)22-17-19-16(18)20-21-17/h7-11H,1-6H3,(H4,18,19,20,21,22)
InChIKeyUEVQKGCSJLMRCJ-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.56
Rot. Bonds6

About N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 11772959) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID11772959
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC NameN-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2n[nH]c(N)n2)c(C(C)C)c1
InChIInChI=1S/C17H27N5O2S/c1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)25(23,24)22-17-19-16(18)20-21-17/h7-11H,1-6H3,(H4,18,19,20,21,22)
InChIKeyUEVQKGCSJLMRCJ-UHFFFAOYSA-N
XLogP3.56
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 11772959) is N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide is CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2n[nH]c(N)n2)c(C(C)C)c1.
What is the InChIKey of N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is UEVQKGCSJLMRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)25(23,24)22-17-19-16(18)20-21-17/h7-11H,1-6H3,(H4,18,19,20,21,22).
What are the key properties of N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 11772959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).