N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide

C14H21N3O3S — CID 119400509

IUPACN-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C14H21N3O3S/c1-3-16-21(19,20)12-5-4-11(2)13(10-12)14(18)17-8-6-15-7-9-17/h4-5,10,15-16H,3,6-9H2,1-2H3
InChIKeyUVNXLSNVSQGTFJ-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.34
Rot. Bonds4

About N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide

N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide (PubChem CID 119400509) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide
PubChem CID119400509
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C14H21N3O3S/c1-3-16-21(19,20)12-5-4-11(2)13(10-12)14(18)17-8-6-15-7-9-17/h4-5,10,15-16H,3,6-9H2,1-2H3
InChIKeyUVNXLSNVSQGTFJ-UHFFFAOYSA-N
XLogP0.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911
N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
CID 52910564
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 119635407
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
1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257445
3-(1,4-diazepane-1-carbonyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 119416470
3-(1,4-diazepane-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide;hydrochloride
CID 119414668
4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid
CID 119239991
N-ethyl-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide
CID 55955544
5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide
CID 119441544

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide (CID 119400509) is N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCNCC2)c1.
What is the InChIKey of N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is UVNXLSNVSQGTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-16-21(19,20)12-5-4-11(2)13(10-12)14(18)17-8-6-15-7-9-17/h4-5,10,15-16H,3,6-9H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide?
N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119400509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).