N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide

C12H18N2O4S — CID 168594420

IUPACN-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cccc(NCC(O)CO)c1)C1CC1
InChIInChI=1S/C12H18N2O4S/c15-8-11(16)7-13-9-2-1-3-10(6-9)14-19(17,18)12-4-5-12/h1-3,6,11-16H,4-5,7-8H2
InChIKeyOLVNRJVWCBINJK-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.36
Rot. Bonds7

About N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide

N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide (PubChem CID 168594420) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide
PubChem CID168594420
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cccc(NCC(O)CO)c1)C1CC1
InChIInChI=1S/C12H18N2O4S/c15-8-11(16)7-13-9-2-1-3-10(6-9)14-19(17,18)12-4-5-12/h1-3,6,11-16H,4-5,7-8H2
InChIKeyOLVNRJVWCBINJK-UHFFFAOYSA-N
XLogP0.36
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,3-dihydroxypropylamino)phenyl]urea
CID 23202913
N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide
CID 168636645
3-(3-methylanilino)propane-1,2-diol
CID 3016394
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298
3-(3-cyclopentyloxyanilino)propane-1,2-diol
CID 168595070
N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
CID 55031487
3-(3-methylsulfanylanilino)propane-1,2-diol
CID 76891537
3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol
CID 168593426
ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate
CID 168597581
[3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone
CID 168593580
N-[3-(2,3-dihydroxypropylamino)phenyl]-3-phenylpropanamide
CID 168593137
3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide
CID 86661514

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide (CID 168594420) is N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide is O=S(=O)(Nc1cccc(NCC(O)CO)c1)C1CC1.
What is the InChIKey of N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide?
The InChIKey is OLVNRJVWCBINJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c15-8-11(16)7-13-9-2-1-3-10(6-9)14-19(17,18)12-4-5-12/h1-3,6,11-16H,4-5,7-8H2.
What are the key properties of N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide?
N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 168594420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).