N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide

C17H15F2N5O2S — CID 155193238

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(C3CC(F)(F)C3)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C17H15F2N5O2S/c1-10-2-3-14(16-15(10)11(6-20)7-21-16)23-27(25,26)13-8-22-24(9-13)12-4-17(18,19)5-12/h2-3,7-9,12,21,23H,4-5H2,1H3
InChIKeySINLRQYSYWKBIX-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.32
Rot. Bonds4

About N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide

N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide (PubChem CID 155193238) has the molecular formula C17H15F2N5O2S and a molecular weight of 391.40 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide
PubChem CID155193238
Molecular FormulaC17H15F2N5O2S
Molecular Weight391.40 g/mol
Exact Mass391.09
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(C3CC(F)(F)C3)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C17H15F2N5O2S/c1-10-2-3-14(16-15(10)11(6-20)7-21-16)23-27(25,26)13-8-22-24(9-13)12-4-17(18,19)5-12/h2-3,7-9,12,21,23H,4-5H2,1H3
InChIKeySINLRQYSYWKBIX-UHFFFAOYSA-N
XLogP3.32
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide with MolForge

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Related Compounds

E 7820
CID 196970
4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide
CID 126455840
4-[3-(7-amino-1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 44451439
4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 135434049
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 139366348
N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide
CID 155116682
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 155116654
N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968670
N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide
CID 170968685
N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968728
N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968755
N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide
CID 170969017

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide (CID 155193238) is N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnn(C3CC(F)(F)C3)c2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide?
The InChIKey is SINLRQYSYWKBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2S/c1-10-2-3-14(16-15(10)11(6-20)7-21-16)23-27(25,26)13-8-22-24(9-13)12-4-17(18,19)5-12/h2-3,7-9,12,21,23H,4-5H2,1H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide has a molecular weight of 391.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).