3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol

C18H21ClN2O4S — CID 168596404

IUPAC3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol
SMILESO=S(=O)(c1ccc(Cl)c(NCC(O)CO)c1)N1CCCc2ccccc21
InChIInChI=1S/C18H21ClN2O4S/c19-16-8-7-15(10-17(16)20-11-14(23)12-22)26(24,25)21-9-3-5-13-4-1-2-6-18(13)21/h1-2,4,6-8,10,14,20,22-23H,3,5,9,11-12H2
InChIKeyDXHFCBVGCNNDTE-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.25
Rot. Bonds6

About 3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol

3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol (PubChem CID 168596404) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol
PubChem CID168596404
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol
SMILESO=S(=O)(c1ccc(Cl)c(NCC(O)CO)c1)N1CCCc2ccccc21
InChIInChI=1S/C18H21ClN2O4S/c19-16-8-7-15(10-17(16)20-11-14(23)12-22)26(24,25)21-9-3-5-13-4-1-2-6-18(13)21/h1-2,4,6-8,10,14,20,22-23H,3,5,9,11-12H2
InChIKeyDXHFCBVGCNNDTE-UHFFFAOYSA-N
XLogP2.25
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol 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

ethyl N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate
CID 58794318
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-nitrobenzamide
CID 23119858
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxyphenyl)benzamide
CID 43036265
N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-methyl-2-nitrobenzamide
CID 23120438
4-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]pyrimidine-5-carboxylic acid
CID 68515268
2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide
CID 169367214
N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 18106238
2-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]isoindole-1,3-dione
CID 168517724
1-(3,4-dichlorophenyl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiourea
CID 25237380
N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 26114555
[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55589053

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol?
The IUPAC name of 3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol (CID 168596404) is 3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol is O=S(=O)(c1ccc(Cl)c(NCC(O)CO)c1)N1CCCc2ccccc21.
What is the InChIKey of 3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol?
The InChIKey is DXHFCBVGCNNDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c19-16-8-7-15(10-17(16)20-11-14(23)12-22)26(24,25)21-9-3-5-13-4-1-2-6-18(13)21/h1-2,4,6-8,10,14,20,22-23H,3,5,9,11-12H2.
What are the key properties of 3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol?
3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol has a molecular weight of 396.90 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]propane-1,2-diol is sourced from PubChem (CID 168596404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).