4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide

C9H10Cl2N2O2S — CID 43256975

IUPAC4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O2S/c10-7-3-5(12)4-8(11)9(7)16(14,15)13-6-1-2-6/h3-4,6,13H,1-2,12H2
InChIKeyTXYYNBOOERIJSN-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.02
Rot. Bonds3

About 4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide

4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide (PubChem CID 43256975) has the molecular formula C9H10Cl2N2O2S and a molecular weight of 281.16 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
PubChem CID43256975
Molecular FormulaC9H10Cl2N2O2S
Molecular Weight281.16 g/mol
Exact Mass279.98
IUPAC Name4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O2S/c10-7-3-5(12)4-8(11)9(7)16(14,15)13-6-1-2-6/h3-4,6,13H,1-2,12H2
InChIKeyTXYYNBOOERIJSN-UHFFFAOYSA-N
XLogP2.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 43256833
4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909269
4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257649
4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 60640000
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide
CID 61466502
4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 63294574
4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide
CID 43652967
4-amino-2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628394
4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide
CID 43258329
2,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43389462
4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide
CID 18141545

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide (CID 43256975) is 4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide?
The InChIKey is TXYYNBOOERIJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2S/c10-7-3-5(12)4-8(11)9(7)16(14,15)13-6-1-2-6/h3-4,6,13H,1-2,12H2.
What are the key properties of 4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide?
4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide has a molecular weight of 281.16 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 43256975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).