4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide

C16H15N5O2S — CID 631044

IUPAC4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide
SMILESNc1cc(Nc2ccc(S(N)(=O)=O)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H15N5O2S/c17-14-10-15(21-16(20-14)11-4-2-1-3-5-11)19-12-6-8-13(9-7-12)24(18,22)23/h1-10H,(H2,18,22,23)(H3,17,19,20,21)
InChIKeyCBYSWNDJNXAHKF-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.12
Rot. Bonds4

About 4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide

4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide (PubChem CID 631044) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide
PubChem CID631044
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide
SMILESNc1cc(Nc2ccc(S(N)(=O)=O)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H15N5O2S/c17-14-10-15(21-16(20-14)11-4-2-1-3-5-11)19-12-6-8-13(9-7-12)24(18,22)23/h1-10H,(H2,18,22,23)(H3,17,19,20,21)
InChIKeyCBYSWNDJNXAHKF-UHFFFAOYSA-N
XLogP2.12
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 66769396
4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide
CID 15788206
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
4-[(2,6-diphenylpyrimidin-4-yl)amino]benzenethiol
CID 70841690
6-anilinopyridine-3-sulfonamide
CID 154206301
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide
CID 112559814
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpropanamide
CID 115915522
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol
CID 112559838
CID 89203066
CID 89203066
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
6-phenyl-N,2-dipyridin-4-ylpyrimidin-4-amine
CID 4273597
4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 106332100

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide (CID 631044) is 4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide is Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide?
The InChIKey is CBYSWNDJNXAHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c17-14-10-15(21-16(20-14)11-4-2-1-3-5-11)19-12-6-8-13(9-7-12)24(18,22)23/h1-10H,(H2,18,22,23)(H3,17,19,20,21).
What are the key properties of 4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide?
4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide has a molecular weight of 341.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 631044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).