N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C14H22N2O2S — CID 106607033

IUPACN,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)N(C)CC2CCCN2)c1
InChIInChI=1S/C14H22N2O2S/c1-11-7-12(2)9-14(8-11)19(17,18)16(3)10-13-5-4-6-15-13/h7-9,13,15H,4-6,10H2,1-3H3
InChIKeyWGUIMDZKMJCICG-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.68
Rot. Bonds4

About N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106607033) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106607033
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)N(C)CC2CCCN2)c1
InChIInChI=1S/C14H22N2O2S/c1-11-7-12(2)9-14(8-11)19(17,18)16(3)10-13-5-4-6-15-13/h7-9,13,15H,4-6,10H2,1-3H3
InChIKeyWGUIMDZKMJCICG-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106606992
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607399
N-methyl-4-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607107
4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607116
3-chloro-4-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607226
4-hydroxy-N-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607126
5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106630495
2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630409
3,5-difluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607508
3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630402
2,4-dimethoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106606986
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106607033) is N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)N(C)CC2CCCN2)c1.
What is the InChIKey of N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is WGUIMDZKMJCICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-7-12(2)9-14(8-11)19(17,18)16(3)10-13-5-4-6-15-13/h7-9,13,15H,4-6,10H2,1-3H3.
What are the key properties of N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106607033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).