N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride

C14H22ClN3O4S2 — CID 120707575

IUPACN-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1ccccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C14H21N3O4S2.ClH/c18-22(19,16-12-7-8-15-11-12)13-5-1-2-6-14(13)23(20,21)17-9-3-4-10-17;/h1-2,5-6,12,15-16H,3-4,7-11H2;1H
InChIKeyLHVOCFVNWJJDSC-UHFFFAOYSA-N
MW395.93 g/mol
LogP0.53
Rot. Bonds5

About N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride

N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride (PubChem CID 120707575) has the molecular formula C14H22ClN3O4S2 and a molecular weight of 395.93 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
PubChem CID120707575
Molecular FormulaC14H22ClN3O4S2
Molecular Weight395.93 g/mol
Exact Mass395.07
IUPAC NameN-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1ccccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C14H21N3O4S2.ClH/c18-22(19,16-12-7-8-15-11-12)13-5-1-2-6-14(13)23(20,21)17-9-3-4-10-17;/h1-2,5-6,12,15-16H,3-4,7-11H2;1H
InChIKeyLHVOCFVNWJJDSC-UHFFFAOYSA-N
XLogP0.53
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 120707123
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride
CID 119966821
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-piperidin-3-yl-2-piperidin-1-ylsulfonylbenzamide
CID 119425802
3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966783
N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide
CID 119960493
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119700344
2-(1,2-oxazol-5-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120999842

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride (CID 120707575) is N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNC1)c1ccccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
The InChIKey is LHVOCFVNWJJDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S2.ClH/c18-22(19,16-12-7-8-15-11-12)13-5-1-2-6-14(13)23(20,21)17-9-3-4-10-17;/h1-2,5-6,12,15-16H,3-4,7-11H2;1H.
What are the key properties of N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120707575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).