2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide

C16H26N2O2S — CID 107423252

IUPAC2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NC2(C)CCNC2)c(C)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-11(2)13(4)15(14(5)12(10)3)21(19,20)18-16(6)7-8-17-9-16/h17-18H,7-9H2,1-6H3
InChIKeyPEPAKAHDHOVUCN-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.26
Rot. Bonds3

About 2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide

2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 107423252) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID107423252
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NC2(C)CCNC2)c(C)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-11(2)13(4)15(14(5)12(10)3)21(19,20)18-16(6)7-8-17-9-16/h17-18H,7-9H2,1-6H3
InChIKeyPEPAKAHDHOVUCN-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide
CID 107423383
4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423198
2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 107423310
3,5-dimethyl-N-(4-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 114696800
4,5-dimethyl-N-(3-methylpyrrolidin-3-yl)-2-nitrobenzenesulfonamide
CID 107423141
methyl 4-[(3-methylpyrrolidin-3-yl)sulfamoyl]benzoate
CID 107423157
4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423356
5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide
CID 107423348
3-acetyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423148
2,4-difluoro-N-(3-methylpyrrolidin-3-yl)-5-nitrobenzenesulfonamide
CID 107423295
2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 107423180
methyl 4-[(3-methylpyrrolidin-3-yl)sulfamoylmethyl]benzoate
CID 107423375

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide (CID 107423252) is 2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NC2(C)CCNC2)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is PEPAKAHDHOVUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10-11(2)13(4)15(14(5)12(10)3)21(19,20)18-16(6)7-8-17-9-16/h17-18H,7-9H2,1-6H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 107423252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).