1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol

C18H19ClN2O3S — CID 168637603

IUPAC1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(NCC(O)CCl)ccc32)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-13-2-5-17(6-3-13)25(23,24)21-9-8-14-10-15(4-7-18(14)21)20-12-16(22)11-19/h2-10,16,20,22H,11-12H2,1H3
InChIKeyQYADJBFMVVLYGM-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.20
Rot. Bonds6

About 1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol

1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol (PubChem CID 168637603) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol
PubChem CID168637603
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(NCC(O)CCl)ccc32)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-13-2-5-17(6-3-13)25(23,24)21-9-8-14-10-15(4-7-18(14)21)20-12-16(22)11-19/h2-10,16,20,22H,11-12H2,1H3
InChIKeyQYADJBFMVVLYGM-UHFFFAOYSA-N
XLogP3.20
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol 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

5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzenesulfonamide
CID 168637649
6-(chloromethyl)-1-(4-methylphenyl)sulfonylindole
CID 14882501
N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
CID 175152929
5-(3,3-dimethylbut-1-ynyl)-1-(4-methylphenyl)sulfonylindole
CID 175964877
2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine
CID 138685100
3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169343579
4-[(3-chloro-2-hydroxypropyl)amino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 168638523
5-chloro-1-(4-methylphenyl)sulfonylindole;ethyl formate
CID 174618464
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide
CID 167263148

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol (CID 168637603) is 1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol is Cc1ccc(S(=O)(=O)n2ccc3cc(NCC(O)CCl)ccc32)cc1.
What is the InChIKey of 1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol?
The InChIKey is QYADJBFMVVLYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13-2-5-17(6-3-13)25(23,24)21-9-8-14-10-15(4-7-18(14)21)20-12-16(22)11-19/h2-10,16,20,22H,11-12H2,1H3.
What are the key properties of 1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol?
1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol has a molecular weight of 378.88 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol is sourced from PubChem (CID 168637603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).