N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide

C18H29N3O2S — CID 110400368

IUPACN-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(N2CCCC2)ccc1N1CCCC1
InChIInChI=1S/C18H29N3O2S/c1-2-3-14-24(22,23)19-17-15-16(20-10-4-5-11-20)8-9-18(17)21-12-6-7-13-21/h8-9,15,19H,2-7,10-14H2,1H3
InChIKeyONZAXSKXLYKAKN-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.43
Rot. Bonds7

About N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide

N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide (PubChem CID 110400368) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide
PubChem CID110400368
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(N2CCCC2)ccc1N1CCCC1
InChIInChI=1S/C18H29N3O2S/c1-2-3-14-24(22,23)19-17-15-16(20-10-4-5-11-20)8-9-18(17)21-12-6-7-13-21/h8-9,15,19H,2-7,10-14H2,1H3
InChIKeyONZAXSKXLYKAKN-UHFFFAOYSA-N
XLogP3.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 110361846
N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 60640535
N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide
CID 113092745
N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400433
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400494
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide
CID 110428724
N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110362270
5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 42751690
1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea
CID 110400361
3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide
CID 43654348
4-[2-(butylsulfonylamino)-4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid
CID 70078678
N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide
CID 113039015

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide?
The IUPAC name of N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide (CID 110400368) is N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide?
The canonical SMILES for N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cc(N2CCCC2)ccc1N1CCCC1.
What is the InChIKey of N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide?
The InChIKey is ONZAXSKXLYKAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-2-3-14-24(22,23)19-17-15-16(20-10-4-5-11-20)8-9-18(17)21-12-6-7-13-21/h8-9,15,19H,2-7,10-14H2,1H3.
What are the key properties of N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide?
N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide has a molecular weight of 351.52 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 110400368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).