2-chloro-N-(methylsulfamoyl)aniline

C7H9ClN2O2S — CID 10608985

IUPAC2-chloro-N-(methylsulfamoyl)aniline
SMILESCNS(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C7H9ClN2O2S/c1-9-13(11,12)10-7-5-3-2-4-6(7)8/h2-5,9-10H,1H3
InChIKeyKZASIIUGGDQHSK-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.22
Rot. Bonds3

About 2-chloro-N-(methylsulfamoyl)aniline

2-chloro-N-(methylsulfamoyl)aniline (PubChem CID 10608985) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-chloro-N-(methylsulfamoyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(methylsulfamoyl)aniline
PubChem CID10608985
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name2-chloro-N-(methylsulfamoyl)aniline
SMILESCNS(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C7H9ClN2O2S/c1-9-13(11,12)10-7-5-3-2-4-6(7)8/h2-5,9-10H,1H3
InChIKeyKZASIIUGGDQHSK-UHFFFAOYSA-N
XLogP1.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloroaniline
CID 7240
2-Chloro-p-phenylenediamine sulfate
CID 22584
4-Chloro-1,3-benzenediamine sulfate
CID 50109
N-(4-Chlorophenyl)methanesulfonamide
CID 706838
N-(3-chlorophenyl)methanesulfonamide
CID 849123
N-(2-Chlorophenyl)methanesulfonamide
CID 824878
2-Chloroaniline hydrochloride
CID 67298
N-(4-chlorophenyl)aminosulfonamide
CID 11321711
Benzenesulfonamide, 4-amino-3-chloro-N-methyl-
CID 211073
2-Chloro-N-sulfinylbenzenamine
CID 21619
N-(2,4-dichlorophenyl)methanesulfonamide
CID 669023
Benzenamine, 2-chloro-, sulfate (1:1)
CID 23148633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(methylsulfamoyl)aniline?
The IUPAC name of 2-chloro-N-(methylsulfamoyl)aniline (CID 10608985) is 2-chloro-N-(methylsulfamoyl)aniline.
What is the SMILES notation for 2-chloro-N-(methylsulfamoyl)aniline?
The canonical SMILES for 2-chloro-N-(methylsulfamoyl)aniline is CNS(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(methylsulfamoyl)aniline?
The InChIKey is KZASIIUGGDQHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-9-13(11,12)10-7-5-3-2-4-6(7)8/h2-5,9-10H,1H3.
What are the key properties of 2-chloro-N-(methylsulfamoyl)aniline?
2-chloro-N-(methylsulfamoyl)aniline has a molecular weight of 220.68 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(methylsulfamoyl)aniline is sourced from PubChem (CID 10608985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).