N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide

C13H19N3O2S — CID 43454625

IUPACN-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1N1CCNCC1
InChIInChI=1S/C13H19N3O2S/c17-19(18,15-11-5-6-11)13-4-2-1-3-12(13)16-9-7-14-8-10-16/h1-4,11,14-15H,5-10H2
InChIKeyWBOZTTVCYFFVFW-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.54
Rot. Bonds4

About N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide

N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide (PubChem CID 43454625) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide
PubChem CID43454625
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1N1CCNCC1
InChIInChI=1S/C13H19N3O2S/c17-19(18,15-11-5-6-11)13-4-2-1-3-12(13)16-9-7-14-8-10-16/h1-4,11,14-15H,5-10H2
InChIKeyWBOZTTVCYFFVFW-UHFFFAOYSA-N
XLogP0.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide
CID 104892772
N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide
CID 155201518
1-[2-(benzenesulfonyl)phenyl]piperazine
CID 11849201
N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide
CID 120848238
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
2-(1,4-diazepan-1-yl)benzenesulfonic acid
CID 86209666
2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 165111784
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide
CID 91365275
2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 66201049

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide (CID 43454625) is N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide is O=S(=O)(NC1CC1)c1ccccc1N1CCNCC1.
What is the InChIKey of N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide?
The InChIKey is WBOZTTVCYFFVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-19(18,15-11-5-6-11)13-4-2-1-3-12(13)16-9-7-14-8-10-16/h1-4,11,14-15H,5-10H2.
What are the key properties of N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide?
N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 43454625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).