N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide

C11H14ClF2N5O2S — CID 19576632

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)Cc2c(Cl)cnn2C)cnn1C(F)F
InChIInChI=1S/C11H14ClF2N5O2S/c1-7-10(5-16-19(7)11(13)14)22(20,21)17(2)6-9-8(12)4-15-18(9)3/h4-5,11H,6H2,1-3H3
InChIKeyKKPOGXJTWGXYIK-UHFFFAOYSA-N
MW353.78 g/mol
LogP1.79
Rot. Bonds5

About N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19576632) has the molecular formula C11H14ClF2N5O2S and a molecular weight of 353.78 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide
PubChem CID19576632
Molecular FormulaC11H14ClF2N5O2S
Molecular Weight353.78 g/mol
Exact Mass353.05
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)Cc2c(Cl)cnn2C)cnn1C(F)F
InChIInChI=1S/C11H14ClF2N5O2S/c1-7-10(5-16-19(7)11(13)14)22(20,21)17(2)6-9-8(12)4-15-18(9)3/h4-5,11H,6H2,1-3H3
InChIKeyKKPOGXJTWGXYIK-UHFFFAOYSA-N
XLogP1.79
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide (CID 19576632) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(C)Cc2c(Cl)cnn2C)cnn1C(F)F.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is KKPOGXJTWGXYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N5O2S/c1-7-10(5-16-19(7)11(13)14)22(20,21)17(2)6-9-8(12)4-15-18(9)3/h4-5,11H,6H2,1-3H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 353.78 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19576632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).