N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide

C10H11Cl2F2N5O2S — CID 19614319

IUPACN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2nn(C)c(Cl)c2Cl)cnn1C(F)F
InChIInChI=1S/C10H11Cl2F2N5O2S/c1-5-7(4-15-19(5)10(13)14)22(20,21)16-3-6-8(11)9(12)18(2)17-6/h4,10,16H,3H2,1-2H3
InChIKeyWAJWROARQYYFHF-UHFFFAOYSA-N
MW374.20 g/mol
LogP2.11
Rot. Bonds5

About N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide

N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide (PubChem CID 19614319) has the molecular formula C10H11Cl2F2N5O2S and a molecular weight of 374.20 g/mol. Its IUPAC name is N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
PubChem CID19614319
Molecular FormulaC10H11Cl2F2N5O2S
Molecular Weight374.20 g/mol
Exact Mass373.00
IUPAC NameN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2nn(C)c(Cl)c2Cl)cnn1C(F)F
InChIInChI=1S/C10H11Cl2F2N5O2S/c1-5-7(4-15-19(5)10(13)14)22(20,21)16-3-6-8(11)9(12)18(2)17-6/h4,10,16H,3H2,1-2H3
InChIKeyWAJWROARQYYFHF-UHFFFAOYSA-N
XLogP2.11
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 19582889
CID 19582889
CID 51853600
CID 51853600
CID 19576632
CID 19576632
CID 19614325
CID 19614325
CID 19614382
CID 19614382
CID 19614588
CID 19614588
CID 19614597
CID 19614597
CID 19614773
CID 19614773
CID 19614778
CID 19614778
CID 19614802
CID 19614802
CID 19614807
CID 19614807
CID 19614847
CID 19614847

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide (CID 19614319) is N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCc2nn(C)c(Cl)c2Cl)cnn1C(F)F.
What is the InChIKey of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
The InChIKey is WAJWROARQYYFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F2N5O2S/c1-5-7(4-15-19(5)10(13)14)22(20,21)16-3-6-8(11)9(12)18(2)17-6/h4,10,16H,3H2,1-2H3.
What are the key properties of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide?
N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide has a molecular weight of 374.20 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19614319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).