4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide

C12H16Cl2N2O3S — CID 114755685

IUPAC4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NCC2(CCO)CC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O3S/c13-9-5-8(15)6-10(14)11(9)20(18,19)16-7-12(1-2-12)3-4-17/h5-6,16-17H,1-4,7,15H2
InChIKeyOBKLVBFHJXTIQI-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.02
Rot. Bonds6

About 4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide

4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide (PubChem CID 114755685) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
PubChem CID114755685
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NCC2(CCO)CC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O3S/c13-9-5-8(15)6-10(14)11(9)20(18,19)16-7-12(1-2-12)3-4-17/h5-6,16-17H,1-4,7,15H2
InChIKeyOBKLVBFHJXTIQI-UHFFFAOYSA-N
XLogP2.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755747
4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63820548
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 114749847
4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115362863
3-amino-4-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755713
methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
CID 43257166
5-bromo-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 114749964
3-amino-2,4-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 107343940
4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 43257027
4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106296782
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
2-bromo-5-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]benzoic acid
CID 114755973

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide (CID 114755685) is 4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)NCC2(CCO)CC2)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide?
The InChIKey is OBKLVBFHJXTIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c13-9-5-8(15)6-10(14)11(9)20(18,19)16-7-12(1-2-12)3-4-17/h5-6,16-17H,1-4,7,15H2.
What are the key properties of 4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide?
4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide has a molecular weight of 339.24 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide is sourced from PubChem (CID 114755685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).