5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide

C14H12ClN5O2S — CID 121135065

IUPAC5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-n2cccn2)ncn1
InChIInChI=1S/C14H12ClN5O2S/c1-10-3-4-11(15)7-12(10)23(21,22)19-13-8-14(17-9-16-13)20-6-2-5-18-20/h2-9H,1H3,(H,16,17,19)
InChIKeyANOFARBYKDPSBU-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.42
Rot. Bonds4

About 5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide

5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide (PubChem CID 121135065) has the molecular formula C14H12ClN5O2S and a molecular weight of 349.80 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
PubChem CID121135065
Molecular FormulaC14H12ClN5O2S
Molecular Weight349.80 g/mol
Exact Mass349.04
IUPAC Name5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-n2cccn2)ncn1
InChIInChI=1S/C14H12ClN5O2S/c1-10-3-4-11(15)7-12(10)23(21,22)19-13-8-14(17-9-16-13)20-6-2-5-18-20/h2-9H,1H3,(H,16,17,19)
InChIKeyANOFARBYKDPSBU-UHFFFAOYSA-N
XLogP2.42
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135373
5-chloro-2-methyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308308
4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135011
4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine
CID 121134990
N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide
CID 121135032
3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135064
N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide
CID 121135030
N-(6-pyrazol-1-ylpyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135031
2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135483
5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 30868177
5-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 122289740
2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290773

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide (CID 121135065) is 5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-n2cccn2)ncn1.
What is the InChIKey of 5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide?
The InChIKey is ANOFARBYKDPSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2S/c1-10-3-4-11(15)7-12(10)23(21,22)19-13-8-14(17-9-16-13)20-6-2-5-18-20/h2-9H,1H3,(H,16,17,19).
What are the key properties of 5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide?
5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 121135065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).