N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C14H22N2O3S — CID 106610190

IUPACN-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(CCO)CC1CCCN1
InChIInChI=1S/C14H22N2O3S/c1-12-5-2-3-7-14(12)20(18,19)16(9-10-17)11-13-6-4-8-15-13/h2-3,5,7,13,15,17H,4,6,8-11H2,1H3
InChIKeyOSELKADPZKVENE-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.73
Rot. Bonds6

About N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106610190) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106610190
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(CCO)CC1CCCN1
InChIInChI=1S/C14H22N2O3S/c1-12-5-2-3-7-14(12)20(18,19)16(9-10-17)11-13-6-4-8-15-13/h2-3,5,7,13,15,17H,4,6,8-11H2,1H3
InChIKeyOSELKADPZKVENE-UHFFFAOYSA-N
XLogP0.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610343
2-fluoro-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610377
2-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610463
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608711
2,4-difluoro-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610277
4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610228
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630272
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630366
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608617
N-ethyl-N-(pyrrolidin-2-ylmethyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 106608086

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106610190) is N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)N(CCO)CC1CCCN1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is OSELKADPZKVENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12-5-2-3-7-14(12)20(18,19)16(9-10-17)11-13-6-4-8-15-13/h2-3,5,7,13,15,17H,4,6,8-11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.73, 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-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106610190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).