4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide

C15H25N3O2S — CID 62146860

IUPAC4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC2CCN(CC)C2)cc1
InChIInChI=1S/C15H25N3O2S/c1-3-16-14-5-7-15(8-6-14)21(19,20)17-11-13-9-10-18(4-2)12-13/h5-8,13,16-17H,3-4,9-12H2,1-2H3
InChIKeyQRXMRILNUCZFCX-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.74
Rot. Bonds7

About 4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide

4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 62146860) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID62146860
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC2CCN(CC)C2)cc1
InChIInChI=1S/C15H25N3O2S/c1-3-16-14-5-7-15(8-6-14)21(19,20)17-11-13-9-10-18(4-2)12-13/h5-8,13,16-17H,3-4,9-12H2,1-2H3
InChIKeyQRXMRILNUCZFCX-UHFFFAOYSA-N
XLogP1.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide
CID 60856715
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 60855885
4-[(1-ethylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 54927732
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 60857328
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 60855529
N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 93343039
4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60860756
2-amino-4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60856671
4-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 131931555
3-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 60857196
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide (CID 62146860) is 4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide is CCNc1ccc(S(=O)(=O)NCC2CCN(CC)C2)cc1.
What is the InChIKey of 4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is QRXMRILNUCZFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-16-14-5-7-15(8-6-14)21(19,20)17-11-13-9-10-18(4-2)12-13/h5-8,13,16-17H,3-4,9-12H2,1-2H3.
What are the key properties of 4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide?
4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 62146860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).