4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide

C9H12Cl2N2O2S — CID 43256923

IUPAC4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H12Cl2N2O2S/c1-5(2)13-16(14,15)9-7(10)3-6(12)4-8(9)11/h3-5,13H,12H2,1-2H3
InChIKeyXRQPHXONGJTDFT-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.26
Rot. Bonds3

About 4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide

4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide (PubChem CID 43256923) has the molecular formula C9H12Cl2N2O2S and a molecular weight of 283.18 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide
PubChem CID43256923
Molecular FormulaC9H12Cl2N2O2S
Molecular Weight283.18 g/mol
Exact Mass282.00
IUPAC Name4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H12Cl2N2O2S/c1-5(2)13-16(14,15)9-7(10)3-6(12)4-8(9)11/h3-5,13H,12H2,1-2H3
InChIKeyXRQPHXONGJTDFT-UHFFFAOYSA-N
XLogP2.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 52.26
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-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 221212
4-amino-N-(3-chlorophenyl)benzene-1-sulfonamide
CID 2357660
Benzenesulfonamide, 4-amino-3-chloro-N-methyl-
CID 211073
4-Amino-6-chloro-N1,N3-dimethyl-1,3-benzenedisulfonamide
CID 120952
2-Amino-4,6-dichlorobenzene-1-sulfonamide
CID 3021430
4-Amino-2-chlorobenzene-1-sulfonamide
CID 12533522
Benzenesulfonamide, 4-amino-2,5-dichloro-N,N-dimethyl-
CID 117747
Benzenesulfonamide, 4-amino-N-(4-amino-3,5-dichlorophenyl)-
CID 245062
2-Amino-6-chlorobenzene-1-sulfonamide
CID 21197815
4-Amino-2,6-dichlorobenzene-1-sulfonamide
CID 22050186
Methyclothiazide related compound A
CID 518797
2,6-Dichlorosulfanilic acid
CID 87094109

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide (CID 43256923) is 4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is XRQPHXONGJTDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2S/c1-5(2)13-16(14,15)9-7(10)3-6(12)4-8(9)11/h3-5,13H,12H2,1-2H3.
What are the key properties of 4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide?
4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 283.18 g/mol, XLogP of 2.26, 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-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43256923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).