N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide

C16H14ClF2N5O2S — CID 163247809

IUPACN-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Cl)c1C(F)F
InChIInChI=1S/C16H14ClF2N5O2S/c1-9-5-3-4-6-11(9)13-12(15(18)19)14(17)22-16(21-13)23-27(25,26)10-7-20-24(2)8-10/h3-8,15H,1-2H3,(H,21,22,23)
InChIKeyKMZRZCIBDVBWHL-UHFFFAOYSA-N
MW413.84 g/mol
LogP3.58
Rot. Bonds5

About N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide

N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 163247809) has the molecular formula C16H14ClF2N5O2S and a molecular weight of 413.84 g/mol. Its IUPAC name is N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID163247809
Molecular FormulaC16H14ClF2N5O2S
Molecular Weight413.84 g/mol
Exact Mass413.05
IUPAC NameN-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Cl)c1C(F)F
InChIInChI=1S/C16H14ClF2N5O2S/c1-9-5-3-4-6-11(9)13-12(15(18)19)14(17)22-16(21-13)23-27(25,26)10-7-20-24(2)8-10/h3-8,15H,1-2H3,(H,21,22,23)
InChIKeyKMZRZCIBDVBWHL-UHFFFAOYSA-N
XLogP3.58
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-5-ethyl-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247550
N-[4-chloro-5-methoxy-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247125
N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247437
N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide
CID 163248040
1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide
CID 163246988
3-amino-N-[4-chloro-6-(2-methylphenyl)-5-propan-2-ylpyrimidin-2-yl]benzenesulfonamide
CID 163246934
N-methyl-4-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
CID 163246990
N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
CID 163246961
N-[4-(2-chloro-6-methylphenoxy)-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247143
1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 84595481
N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 114051204
1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide
CID 163248844

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide (CID 163247809) is N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide is Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Cl)c1C(F)F.
What is the InChIKey of N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is KMZRZCIBDVBWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N5O2S/c1-9-5-3-4-6-11(9)13-12(15(18)19)14(17)22-16(21-13)23-27(25,26)10-7-20-24(2)8-10/h3-8,15H,1-2H3,(H,21,22,23).
What are the key properties of N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide?
N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 413.84 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 163247809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).