3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide

C20H28ClN3O5S2 — CID 87757511

IUPAC3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide
SMILESCCC(O)Cc1csc(NS(=O)(=O)c2ccc(OCCCN3CCOCC3)c(Cl)c2)n1
InChIInChI=1S/C20H28ClN3O5S2/c1-2-16(25)12-15-14-30-20(22-15)23-31(26,27)17-4-5-19(18(21)13-17)29-9-3-6-24-7-10-28-11-8-24/h4-5,13-14,16,25H,2-3,6-12H2,1H3,(H,22,23)
InChIKeyMXRWCAHZXRTRRC-UHFFFAOYSA-N
MW490.05 g/mol
LogP3.01
Rot. Bonds11

About 3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide

3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide (PubChem CID 87757511) has the molecular formula C20H28ClN3O5S2 and a molecular weight of 490.05 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide
PubChem CID87757511
Molecular FormulaC20H28ClN3O5S2
Molecular Weight490.05 g/mol
Exact Mass489.12
IUPAC Name3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide
SMILESCCC(O)Cc1csc(NS(=O)(=O)c2ccc(OCCCN3CCOCC3)c(Cl)c2)n1
InChIInChI=1S/C20H28ClN3O5S2/c1-2-16(25)12-15-14-30-20(22-15)23-31(26,27)17-4-5-19(18(21)13-17)29-9-3-6-24-7-10-28-11-8-24/h4-5,13-14,16,25H,2-3,6-12H2,1H3,(H,22,23)
InChIKeyMXRWCAHZXRTRRC-UHFFFAOYSA-N
XLogP3.01
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.05
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)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

3-chloro-4-[2-(dimethylamino)ethoxy]-N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 87756691
3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6464011
2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 87545701
5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide
CID 75432318
3-chloro-4-(3-morpholin-4-ylpropoxy)aniline
CID 123911683
2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575536
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110758289
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402252
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 45373996
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731
(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol
CID 7440472

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide (CID 87757511) is 3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide is CCC(O)Cc1csc(NS(=O)(=O)c2ccc(OCCCN3CCOCC3)c(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide?
The InChIKey is MXRWCAHZXRTRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O5S2/c1-2-16(25)12-15-14-30-20(22-15)23-31(26,27)17-4-5-19(18(21)13-17)29-9-3-6-24-7-10-28-11-8-24/h4-5,13-14,16,25H,2-3,6-12H2,1H3,(H,22,23).
What are the key properties of 3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide?
3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide has a molecular weight of 490.05 g/mol, XLogP of 3.01, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide is sourced from PubChem (CID 87757511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).