N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide

C13H12ClFN4O2S — CID 155193252

IUPACN-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1cnn(CCF)c1
InChIInChI=1S/C13H12ClFN4O2S/c14-11-7-16-13-10(11)2-1-3-12(13)18-22(20,21)9-6-17-19(8-9)5-4-15/h1-3,6-8,16,18H,4-5H2
InChIKeyDYZKBVIERDQVGV-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.79
Rot. Bonds5

About N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide

N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide (PubChem CID 155193252) has the molecular formula C13H12ClFN4O2S and a molecular weight of 342.78 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide
PubChem CID155193252
Molecular FormulaC13H12ClFN4O2S
Molecular Weight342.78 g/mol
Exact Mass342.04
IUPAC NameN-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1cnn(CCF)c1
InChIInChI=1S/C13H12ClFN4O2S/c14-11-7-16-13-10(11)2-1-3-12(13)18-22(20,21)9-6-17-19(8-9)5-4-15/h1-3,6-8,16,18H,4-5H2
InChIKeyDYZKBVIERDQVGV-UHFFFAOYSA-N
XLogP2.79
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Indisulam
CID 216468
N-(3-Chloro-1H-indol-7-yl)-4-sulfinamoyl-benzenesulfonamide
CID 44392389
N-(3-chloro-1H-indol-7-yl)pyridine-3-sulfonamide
CID 44306479
N-(3-chloro-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide
CID 44306485
5-N-(3-chloro-1H-indol-7-yl)pyridine-2,5-disulfonamide
CID 44306510
4-chloro-N-(1H-indol-7-yl)benzenesulfonamide
CID 10662474
Benzenesulfonamide, 4-amino-N-(3-chloro-1H-indol-7-yl)-
CID 10268048
N-(3-chloro-1H-indol-7-yl)-4-(methanesulfonamido)benzenesulfonamide
CID 10548962
N-(3-chloro-1H-indol-7-yl)-4-(sulfamoylmethyl)benzenesulfonamide
CID 10548963
4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide
CID 10573033
4-Chloro-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 44273586
6-chloro-N-(1-(2-chloroethyl)-5-cyano-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176489959

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide (CID 155193252) is N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide is O=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1cnn(CCF)c1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is DYZKBVIERDQVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O2S/c14-11-7-16-13-10(11)2-1-3-12(13)18-22(20,21)9-6-17-19(8-9)5-4-15/h1-3,6-8,16,18H,4-5H2.
What are the key properties of N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide?
N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 342.78 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).