4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium

C15H24N5O3S+ — CID 175029093

IUPAC4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C10H10N4O2S.C5H14NO/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;1-6(2,3)4-5-7/h1-7H,11H2,(H,12,13,14);7H,4-5H2,1-3H3/q;+1
InChIKeyCECKVBAZMYAKJS-UHFFFAOYSA-N
MW354.46 g/mol
LogP0.54
Rot. Bonds5

About 4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium

4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium (PubChem CID 175029093) has the molecular formula C15H24N5O3S+ and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium
PubChem CID175029093
Molecular FormulaC15H24N5O3S+
Molecular Weight354.46 g/mol
Exact Mass354.16
IUPAC Name4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C10H10N4O2S.C5H14NO/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;1-6(2,3)4-5-7/h1-7H,11H2,(H,12,13,14);7H,4-5H2,1-3H3/q;+1
InChIKeyCECKVBAZMYAKJS-UHFFFAOYSA-N
XLogP0.54
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 43111211
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide;4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 174831493
[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride
CID 45266164
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver
CID 118386705
4-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844403

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of 4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium (CID 175029093) is 4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for 4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for 4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is CECKVBAZMYAKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S.C5H14NO/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;1-6(2,3)4-5-7/h1-7H,11H2,(H,12,13,14);7H,4-5H2,1-3H3/q;+1.
What are the key properties of 4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium?
4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 354.46 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 175029093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).