N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C15H24N2O3S — CID 106610343

IUPACN-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCO)CC2CCCN2)c1
InChIInChI=1S/C15H24N2O3S/c1-12-5-6-13(2)15(10-12)21(19,20)17(8-9-18)11-14-4-3-7-16-14/h5-6,10,14,16,18H,3-4,7-9,11H2,1-2H3
InChIKeyRXKWMRHHMLCIID-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.04
Rot. Bonds6

About N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106610343) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106610343
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCO)CC2CCCN2)c1
InChIInChI=1S/C15H24N2O3S/c1-12-5-6-13(2)15(10-12)21(19,20)17(8-9-18)11-14-4-3-7-16-14/h5-6,10,14,16,18H,3-4,7-9,11H2,1-2H3
InChIKeyRXKWMRHHMLCIID-UHFFFAOYSA-N
XLogP1.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610190
2,4-difluoro-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610277
2-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610463
2-fluoro-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610377
N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630272
2-chloro-N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608100
4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610228
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608711
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
2-[1-(2,4-dimethylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606920
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608617
2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630409

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106610343) is N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(CCO)CC2CCCN2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is RXKWMRHHMLCIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-5-6-13(2)15(10-12)21(19,20)17(8-9-18)11-14-4-3-7-16-14/h5-6,10,14,16,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106610343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).