4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide

C13H9Cl2N3O2S — CID 61107705

IUPAC4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccc(N)cc2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N3O2S/c14-11-3-2-10(5-8(11)7-16)18-21(19,20)13-4-1-9(17)6-12(13)15/h1-6,18H,17H2
InChIKeyMDDUZAUAOMSHHD-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.25
Rot. Bonds3

About 4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide

4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide (PubChem CID 61107705) has the molecular formula C13H9Cl2N3O2S and a molecular weight of 342.21 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
PubChem CID61107705
Molecular FormulaC13H9Cl2N3O2S
Molecular Weight342.21 g/mol
Exact Mass340.98
IUPAC Name4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccc(N)cc2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N3O2S/c14-11-3-2-10(5-8(11)7-16)18-21(19,20)13-4-1-9(17)6-12(13)15/h1-6,18H,17H2
InChIKeyMDDUZAUAOMSHHD-UHFFFAOYSA-N
XLogP3.25
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
CID 28553639
1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide
CID 61107710
2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
CID 61053173
4-amino-2-chloro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 28973552
4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 65480606
4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166320
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339
2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid
CID 43361980
1-N-(4-chloro-3-cyanophenyl)-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 31782478
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide (CID 61107705) is 4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide is N#Cc1cc(NS(=O)(=O)c2ccc(N)cc2Cl)ccc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide?
The InChIKey is MDDUZAUAOMSHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2S/c14-11-3-2-10(5-8(11)7-16)18-21(19,20)13-4-1-9(17)6-12(13)15/h1-6,18H,17H2.
What are the key properties of 4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide?
4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide has a molecular weight of 342.21 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide is sourced from PubChem (CID 61107705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).