N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide

C7H11ClF2N4O2S — CID 114172506

IUPACN-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C7H11ClF2N4O2S/c1-14-6(5(8)2-12-14)17(15,16)13-4-7(9,10)3-11/h2,13H,3-4,11H2,1H3
InChIKeyHNMWWAFTBPVGQI-UHFFFAOYSA-N
MW288.71 g/mol
LogP-0.05
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide

N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide (PubChem CID 114172506) has the molecular formula C7H11ClF2N4O2S and a molecular weight of 288.71 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
PubChem CID114172506
Molecular FormulaC7H11ClF2N4O2S
Molecular Weight288.71 g/mol
Exact Mass288.03
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C7H11ClF2N4O2S/c1-14-6(5(8)2-12-14)17(15,16)13-4-7(9,10)3-11/h2,13H,3-4,11H2,1H3
InChIKeyHNMWWAFTBPVGQI-UHFFFAOYSA-N
XLogP-0.05
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide (CID 114172506) is N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The InChIKey is HNMWWAFTBPVGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF2N4O2S/c1-14-6(5(8)2-12-14)17(15,16)13-4-7(9,10)3-11/h2,13H,3-4,11H2,1H3.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide has a molecular weight of 288.71 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 114172506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).