N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide

C19H13FN4O2S2 — CID 66616938

IUPACN-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide
SMILESN#Cc1cccc(Cn2nc(NS(=O)(=O)c3cccs3)c3c(F)cccc32)c1
InChIInChI=1S/C19H13FN4O2S2/c20-15-6-2-7-16-18(15)19(23-28(25,26)17-8-3-9-27-17)22-24(16)12-14-5-1-4-13(10-14)11-21/h1-10H,12H2,(H,22,23)
InChIKeyQLRAPCFXXXCBLC-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.96
Rot. Bonds5

About N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide

N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide (PubChem CID 66616938) has the molecular formula C19H13FN4O2S2 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide
PubChem CID66616938
Molecular FormulaC19H13FN4O2S2
Molecular Weight412.47 g/mol
Exact Mass412.05
IUPAC NameN-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide
SMILESN#Cc1cccc(Cn2nc(NS(=O)(=O)c3cccs3)c3c(F)cccc32)c1
InChIInChI=1S/C19H13FN4O2S2/c20-15-6-2-7-16-18(15)19(23-28(25,26)17-8-3-9-27-17)22-24(16)12-14-5-1-4-13(10-14)11-21/h1-10H,12H2,(H,22,23)
InChIKeyQLRAPCFXXXCBLC-UHFFFAOYSA-N
XLogP3.96
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
CID 66617057
3-(thiophen-2-ylsulfonylmethyl)benzonitrile
CID 2819655
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 22205934
N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22771789
3-[(5,6-difluorobenzotriazol-2-yl)methyl]benzonitrile
CID 83968887
N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide
CID 133397387
3-[(5,6-difluorobenzotriazol-1-yl)methyl]benzonitrile
CID 82147092
(3-cyanophenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 7843748
4-fluoro-3-(thiophen-2-ylsulfonylmethyl)benzonitrile
CID 64692827
(2S)-2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]propanamide
CID 59456032
(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide
CID 59456087
N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide
CID 59456023

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide (CID 66616938) is N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide is N#Cc1cccc(Cn2nc(NS(=O)(=O)c3cccs3)c3c(F)cccc32)c1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is QLRAPCFXXXCBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S2/c20-15-6-2-7-16-18(15)19(23-28(25,26)17-8-3-9-27-17)22-24(16)12-14-5-1-4-13(10-14)11-21/h1-10H,12H2,(H,22,23).
What are the key properties of N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide?
N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 412.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]-4-fluoroindazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 66616938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).