4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide

C12H10ClF2N3O2S — CID 83073033

IUPAC4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H10ClF2N3O2S/c13-8-3-6(14)4-9(15)12(8)18-11-5-7(21(17,19)20)1-2-10(11)16/h1-5,18H,16H2,(H2,17,19,20)
InChIKeySAWHNTAPWHXBIW-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.59
Rot. Bonds3

About 4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide

4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide (PubChem CID 83073033) has the molecular formula C12H10ClF2N3O2S and a molecular weight of 333.75 g/mol. Its IUPAC name is 4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
PubChem CID83073033
Molecular FormulaC12H10ClF2N3O2S
Molecular Weight333.75 g/mol
Exact Mass333.02
IUPAC Name4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H10ClF2N3O2S/c13-8-3-6(14)4-9(15)12(8)18-11-5-7(21(17,19)20)1-2-10(11)16/h1-5,18H,16H2,(H2,17,19,20)
InChIKeySAWHNTAPWHXBIW-UHFFFAOYSA-N
XLogP2.59
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.59
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

5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83074420
4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine
CID 83081059
4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
CID 83082015
4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide
CID 82898871
4-amino-3-(2-fluoroanilino)benzenesulfonamide
CID 82907833
4-amino-3-(3,4-dichloroanilino)benzenesulfonamide
CID 82907760
4-amino-3-(5-bromo-4-fluoro-2-methylanilino)benzenesulfonamide
CID 107590941
4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide
CID 83076786
3-amino-4-(2,4-difluoroanilino)benzenesulfonamide
CID 43153461
2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide
CID 83072869
3-amino-4-(5-chloro-2-fluoroanilino)benzenesulfonamide
CID 43438429
1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 83077117

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide (CID 83073033) is 4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide?
The InChIKey is SAWHNTAPWHXBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O2S/c13-8-3-6(14)4-9(15)12(8)18-11-5-7(21(17,19)20)1-2-10(11)16/h1-5,18H,16H2,(H2,17,19,20).
What are the key properties of 4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide?
4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide has a molecular weight of 333.75 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide is sourced from PubChem (CID 83073033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).