2-(benzenesulfonyl)-5-chloroaniline

C12H10ClNO2S — CID 20552660

IUPAC2-(benzenesulfonyl)-5-chloroaniline
SMILESNc1cc(Cl)ccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H10ClNO2S/c13-9-6-7-12(11(14)8-9)17(15,16)10-4-2-1-3-5-10/h1-8H,14H2
InChIKeyRVDMVLINQHMAGO-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.76
Rot. Bonds2

About 2-(benzenesulfonyl)-5-chloroaniline

2-(benzenesulfonyl)-5-chloroaniline (PubChem CID 20552660) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-chloroaniline.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-chloroaniline
PubChem CID20552660
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name2-(benzenesulfonyl)-5-chloroaniline
SMILESNc1cc(Cl)ccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H10ClNO2S/c13-9-6-7-12(11(14)8-9)17(15,16)10-4-2-1-3-5-10/h1-8H,14H2
InChIKeyRVDMVLINQHMAGO-UHFFFAOYSA-N
XLogP2.76
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 77956
CID 77956
CID 252039
CID 252039
CID 229818
CID 229818
CID 291461
CID 291461
CID 94742
CID 94742
CID 376977
CID 376977
CID 12295883
CID 12295883
CID 20865
CID 20865
CID 361297
CID 361297
CID 2357660
CID 2357660
CID 10845921
CID 10845921
CID 77790
CID 77790

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-chloroaniline?
The IUPAC name of 2-(benzenesulfonyl)-5-chloroaniline (CID 20552660) is 2-(benzenesulfonyl)-5-chloroaniline.
What is the SMILES notation for 2-(benzenesulfonyl)-5-chloroaniline?
The canonical SMILES for 2-(benzenesulfonyl)-5-chloroaniline is Nc1cc(Cl)ccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-5-chloroaniline?
The InChIKey is RVDMVLINQHMAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c13-9-6-7-12(11(14)8-9)17(15,16)10-4-2-1-3-5-10/h1-8H,14H2.
What are the key properties of 2-(benzenesulfonyl)-5-chloroaniline?
2-(benzenesulfonyl)-5-chloroaniline has a molecular weight of 267.74 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-chloroaniline is sourced from PubChem (CID 20552660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).