N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide

C14H18N4O2S — CID 120713435

IUPACN-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide
SMILESNCCCCNS(=O)(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C14H18N4O2S/c15-8-4-5-9-18-21(19,20)13-10-16-14(17-11-13)12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9,15H2
InChIKeyARPZGKIHCADENK-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.16
Rot. Bonds7

About N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide

N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide (PubChem CID 120713435) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide
PubChem CID120713435
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide
SMILESNCCCCNS(=O)(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C14H18N4O2S/c15-8-4-5-9-18-21(19,20)13-10-16-14(17-11-13)12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9,15H2
InChIKeyARPZGKIHCADENK-UHFFFAOYSA-N
XLogP1.16
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide?
The IUPAC name of N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide (CID 120713435) is N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide is NCCCCNS(=O)(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide?
The InChIKey is ARPZGKIHCADENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c15-8-4-5-9-18-21(19,20)13-10-16-14(17-11-13)12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9,15H2.
What are the key properties of N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide?
N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide is sourced from PubChem (CID 120713435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).