N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide

C19H18FN3O4S — CID 174262180

IUPACN-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide
SMILESCC(C)(O)COc1ccc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cc1
InChIInChI=1S/C19H18FN3O4S/c1-19(2,24)11-27-13-3-5-14(6-4-13)28(25,26)23-16-8-7-15(20)17-12(9-21)10-22-18(16)17/h3-8,10,22-24H,11H2,1-2H3
InChIKeyBIAABCSJDPFNCU-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.13
Rot. Bonds6

About N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide

N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide (PubChem CID 174262180) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide
PubChem CID174262180
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide
SMILESCC(C)(O)COc1ccc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cc1
InChIInChI=1S/C19H18FN3O4S/c1-19(2,24)11-27-13-3-5-14(6-4-13)28(25,26)23-16-8-7-15(20)17-12(9-21)10-22-18(16)17/h3-8,10,22-24H,11H2,1-2H3
InChIKeyBIAABCSJDPFNCU-UHFFFAOYSA-N
XLogP3.13
TPSA115.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyano-4-fluoro-1H-indazol-7-yl)-4-(3-hydroxy-3-methylbutoxy)benzenesulfonamide
CID 171805007
2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide
CID 155193523
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide
CID 155708755
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193428
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155708719
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
CID 174263047
4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
CID 126455838
1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid
CID 170332020
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155708776
methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 155116653
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
CID 164863806

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide (CID 174262180) is N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide is CC(C)(O)COc1ccc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cc1.
What is the InChIKey of N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide?
The InChIKey is BIAABCSJDPFNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-19(2,24)11-27-13-3-5-14(6-4-13)28(25,26)23-16-8-7-15(20)17-12(9-21)10-22-18(16)17/h3-8,10,22-24H,11H2,1-2H3.
What are the key properties of N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide?
N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide has a molecular weight of 403.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 174262180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).