3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide

C11H12N4O2S — CID 153326122

IUPAC3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESCc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1
InChIInChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-9-3-2-4-10(5-9)18(12,16)17/h2-7H,1H3,(H2,12,16,17)(H,13,14,15)
InChIKeyFXERHRNZCRYZQW-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.18
Rot. Bonds3

About 3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide

3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 153326122) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID153326122
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESCc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1
InChIInChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-9-3-2-4-10(5-9)18(12,16)17/h2-7H,1H3,(H2,12,16,17)(H,13,14,15)
InChIKeyFXERHRNZCRYZQW-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
3-[[5-methyl-4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 59279658
3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)benzenesulfonamide
CID 11405920
3-[[4-[4-[(ethylsulfonylamino)methyl]anilino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 69262625
3-[[4-[3-[(dimethylsulfamoylamino)methyl]anilino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 46836373
3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 171849376
3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide
CID 135063681
3-methylbenzenesulfonamide
CID 69347063
3-[[3-(3,4,5-trimethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]benzenesulfonamide
CID 11662521
3-[[5-methyl-4-[4-[(propan-2-ylsulfonylamino)methyl]anilino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 24743703
N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide
CID 59262738

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide (CID 153326122) is 3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide is Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1.
What is the InChIKey of 3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is FXERHRNZCRYZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-9-3-2-4-10(5-9)18(12,16)17/h2-7H,1H3,(H2,12,16,17)(H,13,14,15).
What are the key properties of 3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide?
3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 153326122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).