N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide

C17H16Cl2FN3O4S2 — CID 164863505

IUPACN-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1F
InChIInChI=1S/C17H16Cl2FN3O4S2/c1-2-7-28(24,25)22-14-5-3-10(8-13(14)20)29(26,27)23-15-6-4-11(18)16-12(19)9-21-17(15)16/h3-6,8-9,21-23H,2,7H2,1H3
InChIKeyHZXOEBNRIFYLPV-UHFFFAOYSA-N
MW480.37 g/mol
LogP4.57
Rot. Bonds7

About N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide

N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide (PubChem CID 164863505) has the molecular formula C17H16Cl2FN3O4S2 and a molecular weight of 480.37 g/mol. Its IUPAC name is N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide
PubChem CID164863505
Molecular FormulaC17H16Cl2FN3O4S2
Molecular Weight480.37 g/mol
Exact Mass478.99
IUPAC NameN-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1F
InChIInChI=1S/C17H16Cl2FN3O4S2/c1-2-7-28(24,25)22-14-5-3-10(8-13(14)20)29(26,27)23-15-6-4-11(18)16-12(19)9-21-17(15)16/h3-6,8-9,21-23H,2,7H2,1H3
InChIKeyHZXOEBNRIFYLPV-UHFFFAOYSA-N
XLogP4.57
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide with MolForge

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Related Compounds

Indisulam
CID 216468
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide
CID 56944956
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 66800947
N-(3-Chloro-1H-indol-7-yl)-4-sulfinamoyl-benzenesulfonamide
CID 44392389
N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-fluorobenzenesulfonamide
CID 66800965
N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide
CID 66801052
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
N-[3-(3-chlorophenyl)-1H-indol-7-yl]methanesulfonamide
CID 122186747
N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
CID 58731202
4-chloro-N-(1H-indol-7-yl)benzenesulfonamide
CID 10662474

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide?
The IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide (CID 164863505) is N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide?
The canonical SMILES for N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide is CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1F.
What is the InChIKey of N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide?
The InChIKey is HZXOEBNRIFYLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O4S2/c1-2-7-28(24,25)22-14-5-3-10(8-13(14)20)29(26,27)23-15-6-4-11(18)16-12(19)9-21-17(15)16/h3-6,8-9,21-23H,2,7H2,1H3.
What are the key properties of N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide?
N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide has a molecular weight of 480.37 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-1H-indol-7-yl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 164863505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).