N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide

C12H18N2O3S — CID 43500228

IUPACN-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
SMILESCC(O)CNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C12H18N2O3S/c1-9(15)8-13-11-4-2-3-5-12(11)18(16,17)14-10-6-7-10/h2-5,9-10,13-15H,6-8H2,1H3
InChIKeyIYLOPCPMVPEIPE-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.92
Rot. Bonds6

About N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide

N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide (PubChem CID 43500228) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
PubChem CID43500228
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
SMILESCC(O)CNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C12H18N2O3S/c1-9(15)8-13-11-4-2-3-5-12(11)18(16,17)14-10-6-7-10/h2-5,9-10,13-15H,6-8H2,1H3
InChIKeyIYLOPCPMVPEIPE-UHFFFAOYSA-N
XLogP0.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid
CID 43468799
2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
CID 106127786
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 63925494
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide (CID 43500228) is N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide is CC(O)CNc1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide?
The InChIKey is IYLOPCPMVPEIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(15)8-13-11-4-2-3-5-12(11)18(16,17)14-10-6-7-10/h2-5,9-10,13-15H,6-8H2,1H3.
What are the key properties of N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide?
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide is sourced from PubChem (CID 43500228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).