N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide

C10H9ClF2N4O2S — CID 106313880

IUPACN-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1c(N)cc(F)cc1F
InChIInChI=1S/C10H9ClF2N4O2S/c1-17-10(6(11)4-15-17)20(18,19)16-9-7(13)2-5(12)3-8(9)14/h2-4,16H,14H2,1H3
InChIKeyKPFCRMYFMLRPLQ-UHFFFAOYSA-N
MW322.72 g/mol
LogP1.73
Rot. Bonds3

About N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide

N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide (PubChem CID 106313880) has the molecular formula C10H9ClF2N4O2S and a molecular weight of 322.72 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
PubChem CID106313880
Molecular FormulaC10H9ClF2N4O2S
Molecular Weight322.72 g/mol
Exact Mass322.01
IUPAC NameN-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1c(N)cc(F)cc1F
InChIInChI=1S/C10H9ClF2N4O2S/c1-17-10(6(11)4-15-17)20(18,19)16-9-7(13)2-5(12)3-8(9)14/h2-4,16H,14H2,1H3
InChIKeyKPFCRMYFMLRPLQ-UHFFFAOYSA-N
XLogP1.73
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide (CID 106313880) is N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1c(N)cc(F)cc1F.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The InChIKey is KPFCRMYFMLRPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N4O2S/c1-17-10(6(11)4-15-17)20(18,19)16-9-7(13)2-5(12)3-8(9)14/h2-4,16H,14H2,1H3.
What are the key properties of N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide has a molecular weight of 322.72 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106313880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).