N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide

C17H28N4O3S — CID 109063964

IUPACN-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCCN1CCN(C(=O)c2cccc(S(=O)(=O)NCCN(C)C)c2)CC1
InChIInChI=1S/C17H28N4O3S/c1-4-20-10-12-21(13-11-20)17(22)15-6-5-7-16(14-15)25(23,24)18-8-9-19(2)3/h5-7,14,18H,4,8-13H2,1-3H3
InChIKeyYLRUQBFCFCKWHB-UHFFFAOYSA-N
MW368.50 g/mol
LogP0.30
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide

N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 109063964) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID109063964
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCCN1CCN(C(=O)c2cccc(S(=O)(=O)NCCN(C)C)c2)CC1
InChIInChI=1S/C17H28N4O3S/c1-4-20-10-12-21(13-11-20)17(22)15-6-5-7-16(14-15)25(23,24)18-8-9-19(2)3/h5-7,14,18H,4,8-13H2,1-3H3
InChIKeyYLRUQBFCFCKWHB-UHFFFAOYSA-N
XLogP0.30
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677143
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
N-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17226728
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
3-[2-(dimethylamino)ethylsulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 109063961
3-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 109062386
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994
3-(azetidine-1-carbonyl)-N-[2-(2,5-dimethylphenyl)ethyl]benzenesulfonamide
CID 77097982

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide (CID 109063964) is N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide is CCN1CCN(C(=O)c2cccc(S(=O)(=O)NCCN(C)C)c2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is YLRUQBFCFCKWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-4-20-10-12-21(13-11-20)17(22)15-6-5-7-16(14-15)25(23,24)18-8-9-19(2)3/h5-7,14,18H,4,8-13H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109063964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).