N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide

C16H15ClFN3O2S — CID 126574745

IUPACN-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide
SMILESNCCNS(=O)(=O)c1cc(-c2c[nH]c3cc(F)ccc23)ccc1Cl
InChIInChI=1S/C16H15ClFN3O2S/c17-14-4-1-10(7-16(14)24(22,23)21-6-5-19)13-9-20-15-8-11(18)2-3-12(13)15/h1-4,7-9,20-21H,5-6,19H2
InChIKeyIIXDDJGDNPGPOO-UHFFFAOYSA-N
MW367.83 g/mol
LogP2.86
Rot. Bonds5

About N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide

N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide (PubChem CID 126574745) has the molecular formula C16H15ClFN3O2S and a molecular weight of 367.83 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide
PubChem CID126574745
Molecular FormulaC16H15ClFN3O2S
Molecular Weight367.83 g/mol
Exact Mass367.06
IUPAC NameN-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide
SMILESNCCNS(=O)(=O)c1cc(-c2c[nH]c3cc(F)ccc23)ccc1Cl
InChIInChI=1S/C16H15ClFN3O2S/c17-14-4-1-10(7-16(14)24(22,23)21-6-5-19)13-9-20-15-8-11(18)2-3-12(13)15/h1-4,7-9,20-21H,5-6,19H2
InChIKeyIIXDDJGDNPGPOO-UHFFFAOYSA-N
XLogP2.86
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide
CID 126574732
N-(2-aminoethyl)-1H-indole-3-sulfonamide
CID 82292478
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
CID 144924015
4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 126584383
2-chloro-5-fluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107849069
3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide
CID 126574533
1-amino-7-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]heptan-2-one
CID 123723251
4-[2-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]ethyl]morpholin-4-ium-4-carboxamide
CID 126574737
4-(6-fluoro-1H-indol-3-yl)-N-(3-hydroxy-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 126584259
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide (CID 126574745) is N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide is NCCNS(=O)(=O)c1cc(-c2c[nH]c3cc(F)ccc23)ccc1Cl.
What is the InChIKey of N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide?
The InChIKey is IIXDDJGDNPGPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2S/c17-14-4-1-10(7-16(14)24(22,23)21-6-5-19)13-9-20-15-8-11(18)2-3-12(13)15/h1-4,7-9,20-21H,5-6,19H2.
What are the key properties of N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide?
N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide has a molecular weight of 367.83 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide is sourced from PubChem (CID 126574745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).