1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide

C15H25N3O4S2 — CID 119976410

IUPAC1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H25N3O4S2/c1-4-10-18(13-8-9-16-12-13)24(21,22)15-7-5-6-14(11-15)23(19,20)17(2)3/h5-7,11,13,16H,4,8-10,12H2,1-3H3
InChIKeyPORJPCFKNQBFRO-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.70
Rot. Bonds7

About 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide

1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide (PubChem CID 119976410) has the molecular formula C15H25N3O4S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
PubChem CID119976410
Molecular FormulaC15H25N3O4S2
Molecular Weight375.52 g/mol
Exact Mass375.13
IUPAC Name1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H25N3O4S2/c1-4-10-18(13-8-9-16-12-13)24(21,22)15-7-5-6-14(11-15)23(19,20)17(2)3/h5-7,11,13,16H,4,8-10,12H2,1-3H3
InChIKeyPORJPCFKNQBFRO-UHFFFAOYSA-N
XLogP0.70
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976554
2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide
CID 119976743
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994136
2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300848
N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 95395150
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 63637983
3-bromo-5-cyano-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976364
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
1-methyl-N-propyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 62062782
2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976534

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide?
The IUPAC name of 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide (CID 119976410) is 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide is CCCN(C1CCNC1)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide?
The InChIKey is PORJPCFKNQBFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S2/c1-4-10-18(13-8-9-16-12-13)24(21,22)15-7-5-6-14(11-15)23(19,20)17(2)3/h5-7,11,13,16H,4,8-10,12H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide?
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide has a molecular weight of 375.52 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide is sourced from PubChem (CID 119976410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).