4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide

C11H16N2O3S — CID 137403957

IUPAC4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide
SMILESN[C@@H](CO)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C11H16N2O3S/c12-11(7-14)8-1-5-10(6-2-8)17(15,16)13-9-3-4-9/h1-2,5-6,9,11,13-14H,3-4,7,12H2/t11-/m0/s1
InChIKeyAPEPDFDBNJXODV-NSHDSACASA-N
MW256.33 g/mol
LogP0.12
Rot. Bonds5

About 4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide

4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 137403957) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide
PubChem CID137403957
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide
SMILESN[C@@H](CO)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C11H16N2O3S/c12-11(7-14)8-1-5-10(6-2-8)17(15,16)13-9-3-4-9/h1-2,5-6,9,11,13-14H,3-4,7,12H2/t11-/m0/s1
InChIKeyAPEPDFDBNJXODV-NSHDSACASA-N
XLogP0.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid
CID 104571979
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
ethyl 2-cyano-2-[4-(cyclopropylsulfamoyl)phenyl]acetate
CID 104571450
4-(3-bromopentan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 63561221
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83186685
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide
CID 61252074

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide (CID 137403957) is 4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide is N[C@@H](CO)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is APEPDFDBNJXODV-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2O3S/c12-11(7-14)8-1-5-10(6-2-8)17(15,16)13-9-3-4-9/h1-2,5-6,9,11,13-14H,3-4,7,12H2/t11-/m0/s1.
What are the key properties of 4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide?
4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 137403957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).