3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide

C11H12N4O2S — CID 107587481

IUPAC3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cncnc2)cc1N
InChIInChI=1S/C11H12N4O2S/c1-8-2-3-10(4-11(8)12)18(16,17)15-9-5-13-7-14-6-9/h2-7,15H,12H2,1H3
InChIKeyMHNXJVKIHAWQTP-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.17
Rot. Bonds3

About 3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide

3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 107587481) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID107587481
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cncnc2)cc1N
InChIInChI=1S/C11H12N4O2S/c1-8-2-3-10(4-11(8)12)18(16,17)15-9-5-13-7-14-6-9/h2-7,15H,12H2,1H3
InChIKeyMHNXJVKIHAWQTP-UHFFFAOYSA-N
XLogP1.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911645
3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide
CID 43124457
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969
3-amino-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104775518
5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587489
4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588980
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584526
3-amino-N-[4-(cyanomethyl)phenyl]-4-methylbenzenesulfonamide
CID 62058676
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
CID 65491849

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide (CID 107587481) is 3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cncnc2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is MHNXJVKIHAWQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-8-2-3-10(4-11(8)12)18(16,17)15-9-5-13-7-14-6-9/h2-7,15H,12H2,1H3.
What are the key properties of 3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide?
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 107587481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).