N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide

C13H19NO3S — CID 114109831

IUPACN-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide
SMILESCCC1CC1NS(=O)(=O)c1ccc(CCO)cc1
InChIInChI=1S/C13H19NO3S/c1-2-11-9-13(11)14-18(16,17)12-5-3-10(4-6-12)7-8-15/h3-6,11,13-15H,2,7-9H2,1H3
InChIKeyBBMVREZCXBDDOU-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.30
Rot. Bonds6

About N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide

N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 114109831) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide
PubChem CID114109831
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide
SMILESCCC1CC1NS(=O)(=O)c1ccc(CCO)cc1
InChIInChI=1S/C13H19NO3S/c1-2-11-9-13(11)14-18(16,17)12-5-3-10(4-6-12)7-8-15/h3-6,11,13-15H,2,7-9H2,1H3
InChIKeyBBMVREZCXBDDOU-UHFFFAOYSA-N
XLogP1.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 99778846
4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 106002176
4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide
CID 114108611
N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide
CID 114108471
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
N-(2-aminocyclopentyl)-4-propylbenzenesulfonamide
CID 63251903
N-(2-ethylcyclopropyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 114108612
4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858722
2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol
CID 138573182
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
CID 60530988
4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916419
4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 86808029

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide (CID 114109831) is N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide is CCC1CC1NS(=O)(=O)c1ccc(CCO)cc1.
What is the InChIKey of N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is BBMVREZCXBDDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-11-9-13(11)14-18(16,17)12-5-3-10(4-6-12)7-8-15/h3-6,11,13-15H,2,7-9H2,1H3.
What are the key properties of N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide?
N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 114109831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).