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

C15H22N2O2S — CID 106608787

IUPACN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C15H22N2O2S/c18-20(19,15-6-2-1-3-7-15)17(11-13-8-9-13)12-14-5-4-10-16-14/h1-3,6-7,13-14,16H,4-5,8-12H2
InChIKeyDUOHUFCUHBRUHY-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.84
Rot. Bonds6

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

N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106608787) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106608787
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C15H22N2O2S/c18-20(19,15-6-2-1-3-7-15)17(11-13-8-9-13)12-14-5-4-10-16-14/h1-3,6-7,13-14,16H,4-5,8-12H2
InChIKeyDUOHUFCUHBRUHY-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608687
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608711
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
4-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609631
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 80965589
N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 69019447
5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106608726
4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609514
2-[[cyclopropylmethyl(propylsulfamoyl)amino]methyl]pyrrolidine
CID 106608854

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106608787) is N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CC1CC1)CC1CCCN1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is DUOHUFCUHBRUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19,15-6-2-1-3-7-15)17(11-13-8-9-13)12-14-5-4-10-16-14/h1-3,6-7,13-14,16H,4-5,8-12H2.
What are the key properties of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106608787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).