(NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide

C16H13ClN2O2S — CID 155512431

IUPAC(NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2cc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H13ClN2O2S/c1-11-2-6-15(7-3-11)22(20,21)18-10-14-8-12-4-5-13(17)9-16(12)19-14/h2-10,19H,1H3/b18-10+
InChIKeyWYWQFNFZJDXHBA-VCHYOVAHSA-N
MW332.81 g/mol
LogP3.94
Rot. Bonds3

About (NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide

(NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 155512431) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is (NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide
PubChem CID155512431
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name(NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2cc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H13ClN2O2S/c1-11-2-6-15(7-3-11)22(20,21)18-10-14-8-12-4-5-13(17)9-16(12)19-14/h2-10,19H,1H3/b18-10+
InChIKeyWYWQFNFZJDXHBA-VCHYOVAHSA-N
XLogP3.94
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide (CID 155512431) is (NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C/c2cc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of (NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is WYWQFNFZJDXHBA-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-11-2-6-15(7-3-11)22(20,21)18-10-14-8-12-4-5-13(17)9-16(12)19-14/h2-10,19H,1H3/b18-10+.
What are the key properties of (NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide?
(NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 332.81 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(6-chloro-1H-indol-2-yl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 155512431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).