5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide

C9H13ClN2O4S — CID 168597285

IUPAC5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)ccc1NCC(O)CO
InChIInChI=1S/C9H13ClN2O4S/c10-6-1-2-8(12-4-7(14)5-13)9(3-6)17(11,15)16/h1-3,7,12-14H,4-5H2,(H2,11,15,16)
InChIKeyAOSBYXJUFWEWBK-UHFFFAOYSA-N
MW280.73 g/mol
LogP-0.25
Rot. Bonds5

About 5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide

5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide (PubChem CID 168597285) has the molecular formula C9H13ClN2O4S and a molecular weight of 280.73 g/mol. Its IUPAC name is 5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide
PubChem CID168597285
Molecular FormulaC9H13ClN2O4S
Molecular Weight280.73 g/mol
Exact Mass280.03
IUPAC Name5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)ccc1NCC(O)CO
InChIInChI=1S/C9H13ClN2O4S/c10-6-1-2-8(12-4-7(14)5-13)9(3-6)17(11,15)16/h1-3,7,12-14H,4-5H2,(H2,11,15,16)
InChIKeyAOSBYXJUFWEWBK-UHFFFAOYSA-N
XLogP-0.25
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonic acid
CID 168593744
3-(2-amino-4-chloroanilino)propane-1,2-diol
CID 66176123
5-chloro-2-(2,3-dihydroxypropylamino)benzamide
CID 168593745
5-(4-chlorophenoxy)-2-(2,3-dihydroxypropylamino)benzenesulfonic acid
CID 168595121
5-chloro-2-(methylamino)benzenesulfonamide
CID 44590431
5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168597106
3-(4-amino-2-chloroanilino)propane-1,2-diol
CID 66176348
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-5-nitrobenzenesulfonamide
CID 133308108
3-(2-chloro-5-propan-2-ylsulfonylanilino)propane-1,2-diol
CID 168597429
3-(2-chloro-4-fluoro-3-methylanilino)propane-1,2-diol
CID 168594510
3-(4-chloroanilino)propane-1,2-diol
CID 76891534

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide?
The IUPAC name of 5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide (CID 168597285) is 5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide is NS(=O)(=O)c1cc(Cl)ccc1NCC(O)CO.
What is the InChIKey of 5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide?
The InChIKey is AOSBYXJUFWEWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O4S/c10-6-1-2-8(12-4-7(14)5-13)9(3-6)17(11,15)16/h1-3,7,12-14H,4-5H2,(H2,11,15,16).
What are the key properties of 5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide?
5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide has a molecular weight of 280.73 g/mol, XLogP of -0.25, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide is sourced from PubChem (CID 168597285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).