4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide

C17H25ClN3O5S+ — CID 7150357

IUPAC4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCC[NH+]1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H24ClN3O5S/c18-15-2-1-14(17(22)19-3-4-20-5-9-25-10-6-20)13-16(15)27(23,24)21-7-11-26-12-8-21/h1-2,13H,3-12H2,(H,19,22)/p+1
InChIKeyAMADVSLBSYFFQS-UHFFFAOYSA-O
MW418.92 g/mol
LogP-0.99
Rot. Bonds6

About 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 7150357) has the molecular formula C17H25ClN3O5S+ and a molecular weight of 418.92 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID7150357
Molecular FormulaC17H25ClN3O5S+
Molecular Weight418.92 g/mol
Exact Mass418.12
IUPAC Name4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCC[NH+]1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H24ClN3O5S/c18-15-2-1-14(17(22)19-3-4-20-5-9-25-10-6-20)13-16(15)27(23,24)21-7-11-26-12-8-21/h1-2,13H,3-12H2,(H,19,22)/p+1
InChIKeyAMADVSLBSYFFQS-UHFFFAOYSA-O
XLogP-0.99
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide 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-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 99969256
4-chloro-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 126335825
4-chloro-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7581832
N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60583878
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 6919317
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 42904495
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide (CID 7150357) is 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(NCC[NH+]1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AMADVSLBSYFFQS-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24ClN3O5S/c18-15-2-1-14(17(22)19-3-4-20-5-9-25-10-6-20)13-16(15)27(23,24)21-7-11-26-12-8-21/h1-2,13H,3-12H2,(H,19,22)/p+1.
What are the key properties of 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 418.92 g/mol, XLogP of -0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 7150357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).