3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide

C17H17N5O2S — CID 53257415

IUPAC3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2cc(Nc3ccccc3)ncn2)c1
InChIInChI=1S/C17H17N5O2S/c1-18-25(23,24)15-9-5-8-14(10-15)22-17-11-16(19-12-20-17)21-13-6-3-2-4-7-13/h2-12,18H,1H3,(H2,19,20,21,22)
InChIKeyJBHYJRXQYXDRRY-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.87
Rot. Bonds6

About 3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide

3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 53257415) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide
PubChem CID53257415
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2cc(Nc3ccccc3)ncn2)c1
InChIInChI=1S/C17H17N5O2S/c1-18-25(23,24)15-9-5-8-14(10-15)22-17-11-16(19-12-20-17)21-13-6-3-2-4-7-13/h2-12,18H,1H3,(H2,19,20,21,22)
InChIKeyJBHYJRXQYXDRRY-UHFFFAOYSA-N
XLogP2.87
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Silver Sulfadiazine
CID 441244
Sulfisomidine
CID 5343
Sulfadiazine Sodium
CID 15899898
TG101209
CID 16722832
Ro 04-6790
CID 5312145
Bisanilinopyrimidine, 9i
CID 70702156
4-((6-Amino-4-Pyrimidinyl)Amino)Benzenesulfonamide
CID 2608
6-Bromo-13-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1~3,7~]nonadeca-1(18),3(19),4,6,14,16-hexaene 13,13-dioxide
CID 9952008
4-({4-[(2-Fluoro-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 6539017
4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide
CID 31036

Frequently Asked Questions

What is the IUPAC name of 3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide (CID 53257415) is 3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccccc3)ncn2)c1.
What is the InChIKey of 3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is JBHYJRXQYXDRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-18-25(23,24)15-9-5-8-14(10-15)22-17-11-16(19-12-20-17)21-13-6-3-2-4-7-13/h2-12,18H,1H3,(H2,19,20,21,22).
What are the key properties of 3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide?
3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-anilinopyrimidin-4-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 53257415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).