N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide

C20H29N5O3S — CID 25284951

IUPACN,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(c3nccn3CC)CC2)cc1
InChIInChI=1S/C20H29N5O3S/c1-4-22-12-11-21-20(22)24-15-13-23(14-16-24)19(26)17-7-9-18(10-8-17)29(27,28)25(5-2)6-3/h7-12H,4-6,13-16H2,1-3H3
InChIKeySZNJEVIOUPHQQQ-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.90
Rot. Bonds7

About N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide

N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 25284951) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID25284951
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC NameN,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(c3nccn3CC)CC2)cc1
InChIInChI=1S/C20H29N5O3S/c1-4-22-12-11-21-20(22)24-15-13-23(14-16-24)19(26)17-7-9-18(10-8-17)29(27,28)25(5-2)6-3/h7-12H,4-6,13-16H2,1-3H3
InChIKeySZNJEVIOUPHQQQ-UHFFFAOYSA-N
XLogP1.90
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide (CID 25284951) is N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(c3nccn3CC)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is SZNJEVIOUPHQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-4-22-12-11-21-20(22)24-15-13-23(14-16-24)19(26)17-7-9-18(10-8-17)29(27,28)25(5-2)6-3/h7-12H,4-6,13-16H2,1-3H3.
What are the key properties of N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide?
N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 419.55 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 25284951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).