N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C15H24N2O2S — CID 106609175

IUPACN-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCCCN(CC1CCCN1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-2-3-12-17(13-14-8-7-11-16-14)20(18,19)15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3
InChIKeyRVONPGVDBBJCAN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.23
Rot. Bonds7

About N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106609175) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106609175
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCCCN(CC1CCCN1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-2-3-12-17(13-14-8-7-11-16-14)20(18,19)15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3
InChIKeyRVONPGVDBBJCAN-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609304
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608787
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106609083
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610228
3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
CID 106630601
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106609340
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610190

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106609175) is N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is CCCCN(CC1CCCN1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is RVONPGVDBBJCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-3-12-17(13-14-8-7-11-16-14)20(18,19)15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3.
What are the key properties of N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106609175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).