4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide

C18H19ClN2O3S — CID 91149671

IUPAC4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1cc(CCO)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c19-15-5-7-16(8-6-15)25(23,24)20-10-11-21-13-14(9-12-22)17-3-1-2-4-18(17)21/h1-8,13,20,22H,9-12H2
InChIKeySHSHYFYQASGYFC-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.81
Rot. Bonds7

About 4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide

4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide (PubChem CID 91149671) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide
PubChem CID91149671
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1cc(CCO)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c19-15-5-7-16(8-6-15)25(23,24)20-10-11-21-13-14(9-12-22)17-3-1-2-4-18(17)21/h1-8,13,20,22H,9-12H2
InChIKeySHSHYFYQASGYFC-UHFFFAOYSA-N
XLogP2.81
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]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

4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide
CID 122425596
2-(1-benzylindol-3-yl)ethanol
CID 13134935
4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083934
4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144823
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083935
4-chloro-N-(2-phenothiazin-10-ylethyl)benzenesulfonamide;2-phenothiazin-10-ylethanamine;hydrochloride
CID 158961805
[2-(benzylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 4781337
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid
CID 70352178
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112993348

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide (CID 91149671) is 4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCn1cc(CCO)c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is SHSHYFYQASGYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-15-5-7-16(8-6-15)25(23,24)20-10-11-21-13-14(9-12-22)17-3-1-2-4-18(17)21/h1-8,13,20,22H,9-12H2.
What are the key properties of 4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide?
4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 378.88 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 91149671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).