N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide

C13H19NO4S — CID 54995323

IUPACN-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C13H19NO4S/c1-10(16)11-3-2-4-13(9-11)19(17,18)14(7-8-15)12-5-6-12/h2-4,9-10,12,15-16H,5-8H2,1H3
InChIKeyHHVRDGRVMQQQCH-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.89
Rot. Bonds6

About N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide

N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 54995323) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID54995323
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C13H19NO4S/c1-10(16)11-3-2-4-13(9-11)19(17,18)14(7-8-15)12-5-6-12/h2-4,9-10,12,15-16H,5-8H2,1H3
InChIKeyHHVRDGRVMQQQCH-UHFFFAOYSA-N
XLogP0.89
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61455432
N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879696
N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 102635778
N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide
CID 81265308
3-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102868308
N-cyclopropyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577670
4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675801
N-cyclopropyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide
CID 60845310
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 102867487
3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43265234

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide (CID 54995323) is N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide is CC(O)c1cccc(S(=O)(=O)N(CCO)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is HHVRDGRVMQQQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10(16)11-3-2-4-13(9-11)19(17,18)14(7-8-15)12-5-6-12/h2-4,9-10,12,15-16H,5-8H2,1H3.
What are the key properties of N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 285.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 54995323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).