N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide

C14H22N2O3S — CID 62151572

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CCO)C2CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-9-15-12-3-7-14(8-4-12)20(18,19)16(10-11-17)13-5-6-13/h3-4,7-8,13,15,17H,2,5-6,9-11H2,1H3
InChIKeyFKIXVRJSORUSHV-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.65
Rot. Bonds8

About N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide

N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide (PubChem CID 62151572) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
PubChem CID62151572
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CCO)C2CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-9-15-12-3-7-14(8-4-12)20(18,19)16(10-11-17)13-5-6-13/h3-4,7-8,13,15,17H,2,5-6,9-11H2,1H3
InChIKeyFKIXVRJSORUSHV-UHFFFAOYSA-N
XLogP1.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 54995263
N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide
CID 62143418
N-cyclopropyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577670
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 64522429
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide
CID 62145589
N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide
CID 62145160
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152814
N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43264442
N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide
CID 63692201

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide (CID 62151572) is N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)N(CCO)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide?
The InChIKey is FKIXVRJSORUSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-9-15-12-3-7-14(8-4-12)20(18,19)16(10-11-17)13-5-6-13/h3-4,7-8,13,15,17H,2,5-6,9-11H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide?
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62151572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).