N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

C18H15F3N6O2S — CID 118721254

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(-c3ccc4c(N)n[nH]c4c3)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C18H15F3N6O2S/c1-27-9-15(16(25-27)18(19,20)21)30(28,29)26-12-5-2-10(3-6-12)11-4-7-13-14(8-11)23-24-17(13)22/h2-9,26H,1H3,(H3,22,23,24)
InChIKeyYWPBWBZJWNDYMG-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.37
Rot. Bonds4

About N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide (PubChem CID 118721254) has the molecular formula C18H15F3N6O2S and a molecular weight of 436.42 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
PubChem CID118721254
Molecular FormulaC18H15F3N6O2S
Molecular Weight436.42 g/mol
Exact Mass436.09
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(-c3ccc4c(N)n[nH]c4c3)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C18H15F3N6O2S/c1-27-9-15(16(25-27)18(19,20)21)30(28,29)26-12-5-2-10(3-6-12)11-4-7-13-14(8-11)23-24-17(13)22/h2-9,26H,1H3,(H3,22,23,24)
InChIKeyYWPBWBZJWNDYMG-UHFFFAOYSA-N
XLogP3.37
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide (CID 118721254) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(-c3ccc4c(N)n[nH]c4c3)cc2)c(C(F)(F)F)n1.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The InChIKey is YWPBWBZJWNDYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2S/c1-27-9-15(16(25-27)18(19,20)21)30(28,29)26-12-5-2-10(3-6-12)11-4-7-13-14(8-11)23-24-17(13)22/h2-9,26H,1H3,(H3,22,23,24).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide has a molecular weight of 436.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 118721254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).