N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide

C14H22N3O4S2+ — CID 7130388

IUPACN-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
SMILESC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C14H21N3O4S2/c1-16-8-10-17(11-9-16)23(20,21)14-6-4-13(5-7-14)22(18,19)15-12-2-3-12/h4-7,12,15H,2-3,8-11H2,1H3/p+1
InChIKeyRJPZFIBKQGWLEH-UHFFFAOYSA-O
MW360.48 g/mol
LogP-1.35
Rot. Bonds5

About N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide

N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide (PubChem CID 7130388) has the molecular formula C14H22N3O4S2+ and a molecular weight of 360.48 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
PubChem CID7130388
Molecular FormulaC14H22N3O4S2+
Molecular Weight360.48 g/mol
Exact Mass360.10
IUPAC NameN-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
SMILESC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C14H21N3O4S2/c1-16-8-10-17(11-9-16)23(20,21)14-6-4-13(5-7-14)22(18,19)15-12-2-3-12/h4-7,12,15H,2-3,8-11H2,1H3/p+1
InChIKeyRJPZFIBKQGWLEH-UHFFFAOYSA-O
XLogP-1.35
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
CID 1429249
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
4-(4-benzhydrylpiperazin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 25040590
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
N-cyclopropyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenesulfonamide
CID 1429255
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437
N-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 55483004
N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine
CID 9453718
N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 7436765

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide (CID 7130388) is N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide is C[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1.
What is the InChIKey of N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is RJPZFIBKQGWLEH-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3O4S2/c1-16-8-10-17(11-9-16)23(20,21)14-6-4-13(5-7-14)22(18,19)15-12-2-3-12/h4-7,12,15H,2-3,8-11H2,1H3/p+1.
What are the key properties of N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide?
N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of -1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 7130388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).