4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide

C19H31N5O2S — CID 46946884

IUPAC4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide
SMILESCCCCCCCCCCn1cc(CNS(=O)(=O)c2ccc(N)cc2)nn1
InChIInChI=1S/C19H31N5O2S/c1-2-3-4-5-6-7-8-9-14-24-16-18(22-23-24)15-21-27(25,26)19-12-10-17(20)11-13-19/h10-13,16,21H,2-9,14-15,20H2,1H3
InChIKeyHQRHAJLPTASLQZ-UHFFFAOYSA-N
MW393.56 g/mol
LogP3.48
Rot. Bonds13

About 4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide

4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide (PubChem CID 46946884) has the molecular formula C19H31N5O2S and a molecular weight of 393.56 g/mol. Its IUPAC name is 4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide
PubChem CID46946884
Molecular FormulaC19H31N5O2S
Molecular Weight393.56 g/mol
Exact Mass393.22
IUPAC Name4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide
SMILESCCCCCCCCCCn1cc(CNS(=O)(=O)c2ccc(N)cc2)nn1
InChIInChI=1S/C19H31N5O2S/c1-2-3-4-5-6-7-8-9-14-24-16-18(22-23-24)15-21-27(25,26)19-12-10-17(20)11-13-19/h10-13,16,21H,2-9,14-15,20H2,1H3
InChIKeyHQRHAJLPTASLQZ-UHFFFAOYSA-N
XLogP3.48
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide (CID 46946884) is 4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide is CCCCCCCCCCn1cc(CNS(=O)(=O)c2ccc(N)cc2)nn1.
What is the InChIKey of 4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is HQRHAJLPTASLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2S/c1-2-3-4-5-6-7-8-9-14-24-16-18(22-23-24)15-21-27(25,26)19-12-10-17(20)11-13-19/h10-13,16,21H,2-9,14-15,20H2,1H3.
What are the key properties of 4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide?
4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 393.56 g/mol, XLogP of 3.48, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-decyltriazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 46946884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).