N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide

C11H13Cl2N5O2S — CID 163248040

IUPACN-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCC(C)c1c(Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1Cl
InChIInChI=1S/C11H13Cl2N5O2S/c1-6(2)8-9(12)15-11(16-10(8)13)17-21(19,20)7-4-14-18(3)5-7/h4-6H,1-3H3,(H,15,16,17)
InChIKeyOVRRPFGHISYCKD-UHFFFAOYSA-N
MW350.23 g/mol
LogP2.44
Rot. Bonds4

About N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide

N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 163248040) has the molecular formula C11H13Cl2N5O2S and a molecular weight of 350.23 g/mol. Its IUPAC name is N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID163248040
Molecular FormulaC11H13Cl2N5O2S
Molecular Weight350.23 g/mol
Exact Mass349.02
IUPAC NameN-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCC(C)c1c(Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1Cl
InChIInChI=1S/C11H13Cl2N5O2S/c1-6(2)8-9(12)15-11(16-10(8)13)17-21(19,20)7-4-14-18(3)5-7/h4-6H,1-3H3,(H,15,16,17)
InChIKeyOVRRPFGHISYCKD-UHFFFAOYSA-N
XLogP2.44
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247809
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541
N-[4-chloro-5-ethyl-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247550
N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 114051204
N-[4-chloro-5-methoxy-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247125
4,6-dichloro-N-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidin-2-amine
CID 167005046
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170393410
1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 84595481
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
N-[4-(2-chloro-6-methylphenoxy)-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247143

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide (CID 163248040) is N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide is CC(C)c1c(Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1Cl.
What is the InChIKey of N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is OVRRPFGHISYCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5O2S/c1-6(2)8-9(12)15-11(16-10(8)13)17-21(19,20)7-4-14-18(3)5-7/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide?
N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 350.23 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 163248040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).