4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide

C11H14Cl2N2O3S — CID 63294574

IUPAC4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NCC(O)C2CC2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c12-8-3-7(14)4-9(13)11(8)19(17,18)15-5-10(16)6-1-2-6/h3-4,6,10,15-16H,1-2,5,14H2
InChIKeyNIOJIPUYRGQFPX-UHFFFAOYSA-N
MW325.22 g/mol
LogP1.62
Rot. Bonds5

About 4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide

4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide (PubChem CID 63294574) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
PubChem CID63294574
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC Name4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NCC(O)C2CC2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c12-8-3-7(14)4-9(13)11(8)19(17,18)15-5-10(16)6-1-2-6/h3-4,6,10,15-16H,1-2,5,14H2
InChIKeyNIOJIPUYRGQFPX-UHFFFAOYSA-N
XLogP1.62
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 51.62
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

3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325826
5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
CID 43256975
5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 65206649
5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide
CID 80577895
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide
CID 63294178
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294173
4-chloro-3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]benzoic acid
CID 63296325
4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726263
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 63294130
4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 43256833
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
CID 114150458

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide (CID 63294574) is 4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)NCC(O)C2CC2)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide?
The InChIKey is NIOJIPUYRGQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c12-8-3-7(14)4-9(13)11(8)19(17,18)15-5-10(16)6-1-2-6/h3-4,6,10,15-16H,1-2,5,14H2.
What are the key properties of 4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide has a molecular weight of 325.22 g/mol, XLogP of 1.62, 5 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-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 63294574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).