N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide

C16H25N3O3S — CID 78782911

IUPACN-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(CC)CC2)c1
InChIInChI=1S/C16H25N3O3S/c1-4-17-23(21,22)14-7-6-13(3)15(12-14)16(20)19-10-8-18(5-2)9-11-19/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyOHKOVJWCFLLLBN-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.07
Rot. Bonds5

About N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide

N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide (PubChem CID 78782911) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
PubChem CID78782911
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(CC)CC2)c1
InChIInChI=1S/C16H25N3O3S/c1-4-17-23(21,22)14-7-6-13(3)15(12-14)16(20)19-10-8-18(5-2)9-11-19/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyOHKOVJWCFLLLBN-UHFFFAOYSA-N
XLogP1.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide
CID 119400509
N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
CID 52910564
N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119543123
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17451861
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 119635407
1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257445
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
N-ethyl-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide
CID 55955544
4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid
CID 119239991
N-ethyl-4-methyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzenesulfonamide
CID 27810029
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 55979736

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide (CID 78782911) is N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(CC)CC2)c1.
What is the InChIKey of N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide?
The InChIKey is OHKOVJWCFLLLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-4-17-23(21,22)14-7-6-13(3)15(12-14)16(20)19-10-8-18(5-2)9-11-19/h6-7,12,17H,4-5,8-11H2,1-3H3.
What are the key properties of N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide?
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 78782911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).