4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride

C14H23Cl2N3O4S — CID 3047039

IUPAC4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1S(=O)(=O)NCCCN1CCOCC1.Cl
InChIInChI=1S/C14H22ClN3O4S.ClH/c1-21-13-10-12(16)11(15)9-14(13)23(19,20)17-3-2-4-18-5-7-22-8-6-18;/h9-10,17H,2-8,16H2,1H3;1H
InChIKeyGFPHUCRZGAWAPX-UHFFFAOYSA-N
MW400.33 g/mol
LogP1.35
Rot. Bonds7

About 4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride

4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride (PubChem CID 3047039) has the molecular formula C14H23Cl2N3O4S and a molecular weight of 400.33 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
PubChem CID3047039
Molecular FormulaC14H23Cl2N3O4S
Molecular Weight400.33 g/mol
Exact Mass399.08
IUPAC Name4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1S(=O)(=O)NCCCN1CCOCC1.Cl
InChIInChI=1S/C14H22ClN3O4S.ClH/c1-21-13-10-12(16)11(15)9-14(13)23(19,20)17-3-2-4-18-5-7-22-8-6-18;/h9-10,17H,2-8,16H2,1H3;1H
InChIKeyGFPHUCRZGAWAPX-UHFFFAOYSA-N
XLogP1.35
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 654841
4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride
CID 3046709
2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide
CID 3132631
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3138209
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43256797
4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 63599229

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride (CID 3047039) is 4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride is COc1cc(N)c(Cl)cc1S(=O)(=O)NCCCN1CCOCC1.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride?
The InChIKey is GFPHUCRZGAWAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O4S.ClH/c1-21-13-10-12(16)11(15)9-14(13)23(19,20)17-3-2-4-18-5-7-22-8-6-18;/h9-10,17H,2-8,16H2,1H3;1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride?
4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride has a molecular weight of 400.33 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 3047039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).