4-chloro-N-methylbenzenesulfinamide

C7H8ClNOS — CID 143373382

IUPAC4-chloro-N-methylbenzenesulfinamide
SMILESCNS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C7H8ClNOS/c1-9-11(10)7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKeyQEXCBTLVJKQDDP-UHFFFAOYSA-N
MW189.67 g/mol
LogP1.58
Rot. Bonds2

About 4-chloro-N-methylbenzenesulfinamide

4-chloro-N-methylbenzenesulfinamide (PubChem CID 143373382) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 4-chloro-N-methylbenzenesulfinamide.

Molecular Properties

Compound Name4-chloro-N-methylbenzenesulfinamide
PubChem CID143373382
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name4-chloro-N-methylbenzenesulfinamide
SMILESCNS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C7H8ClNOS/c1-9-11(10)7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKeyQEXCBTLVJKQDDP-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methylbenzenesulfinamide?
The IUPAC name of 4-chloro-N-methylbenzenesulfinamide (CID 143373382) is 4-chloro-N-methylbenzenesulfinamide.
What is the SMILES notation for 4-chloro-N-methylbenzenesulfinamide?
The canonical SMILES for 4-chloro-N-methylbenzenesulfinamide is CNS(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methylbenzenesulfinamide?
The InChIKey is QEXCBTLVJKQDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-9-11(10)7-4-2-6(8)3-5-7/h2-5,9H,1H3.
What are the key properties of 4-chloro-N-methylbenzenesulfinamide?
4-chloro-N-methylbenzenesulfinamide has a molecular weight of 189.67 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methylbenzenesulfinamide is sourced from PubChem (CID 143373382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).