N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide

C15H23N3O4S2 — CID 1429249

IUPACN-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C15H23N3O4S2/c1-2-17-9-11-18(12-10-17)24(21,22)15-7-5-14(6-8-15)23(19,20)16-13-3-4-13/h5-8,13,16H,2-4,9-12H2,1H3
InChIKeyWVMGQDJHWMAOTN-UHFFFAOYSA-N
MW373.50 g/mol
LogP0.45
Rot. Bonds6

About N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide

N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 1429249) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
PubChem CID1429249
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC NameN-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C15H23N3O4S2/c1-2-17-9-11-18(12-10-17)24(21,22)15-7-5-14(6-8-15)23(19,20)16-13-3-4-13/h5-8,13,16H,2-4,9-12H2,1H3
InChIKeyWVMGQDJHWMAOTN-UHFFFAOYSA-N
XLogP0.45
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
CID 7130388
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
N-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 25040953
4-(4-benzhydrylpiperazin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 25040590
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
CID 109059487
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168552

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide (CID 1429249) is N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide is CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1.
What is the InChIKey of N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is WVMGQDJHWMAOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c1-2-17-9-11-18(12-10-17)24(21,22)15-7-5-14(6-8-15)23(19,20)16-13-3-4-13/h5-8,13,16H,2-4,9-12H2,1H3.
What are the key properties of N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide?
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 373.50 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 1429249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).