N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide

C14H23N3O5S2 — CID 119973419

IUPACN-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H23N3O5S2/c1-2-15-7-8-16-23(18,19)13-3-5-14(6-4-13)24(20,21)17-9-11-22-12-10-17/h3-6,15-16H,2,7-12H2,1H3
InChIKeyKBGDDYWOFDHMKK-UHFFFAOYSA-N
MW377.49 g/mol
LogP-0.40
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 119973419) has the molecular formula C14H23N3O5S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID119973419
Molecular FormulaC14H23N3O5S2
Molecular Weight377.49 g/mol
Exact Mass377.11
IUPAC NameN-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H23N3O5S2/c1-2-15-7-8-16-23(18,19)13-3-5-14(6-4-13)24(20,21)17-9-11-22-12-10-17/h3-6,15-16H,2,7-12H2,1H3
InChIKeyKBGDDYWOFDHMKK-UHFFFAOYSA-N
XLogP-0.40
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119973418
N-[3-(methylamino)propyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119964630
N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 119972318
N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119972317
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126027
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884
N-[3-(ethylamino)propyl]morpholine-4-sulfonamide
CID 43606633
N-[2-(ethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 119973711

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 119973419) is N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide is CCNCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is KBGDDYWOFDHMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S2/c1-2-15-7-8-16-23(18,19)13-3-5-14(6-4-13)24(20,21)17-9-11-22-12-10-17/h3-6,15-16H,2,7-12H2,1H3.
What are the key properties of N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of -0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 119973419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).