N-tert-butyl-2-chlorobenzenesulfinamide

C10H14ClNOS — CID 11020737

IUPACN-tert-butyl-2-chlorobenzenesulfinamide
SMILESCC(C)(C)NS(=O)c1ccccc1Cl
InChIInChI=1S/C10H14ClNOS/c1-10(2,3)12-14(13)9-7-5-4-6-8(9)11/h4-7,12H,1-3H3
InChIKeyDJUWRFMHPCTXLK-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.75
Rot. Bonds2

About N-tert-butyl-2-chlorobenzenesulfinamide

N-tert-butyl-2-chlorobenzenesulfinamide (PubChem CID 11020737) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is N-tert-butyl-2-chlorobenzenesulfinamide.

Molecular Properties

Compound NameN-tert-butyl-2-chlorobenzenesulfinamide
PubChem CID11020737
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC NameN-tert-butyl-2-chlorobenzenesulfinamide
SMILESCC(C)(C)NS(=O)c1ccccc1Cl
InChIInChI=1S/C10H14ClNOS/c1-10(2,3)12-14(13)9-7-5-4-6-8(9)11/h4-7,12H,1-3H3
InChIKeyDJUWRFMHPCTXLK-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chlorobenzenesulfinamide?
The IUPAC name of N-tert-butyl-2-chlorobenzenesulfinamide (CID 11020737) is N-tert-butyl-2-chlorobenzenesulfinamide.
What is the SMILES notation for N-tert-butyl-2-chlorobenzenesulfinamide?
The canonical SMILES for N-tert-butyl-2-chlorobenzenesulfinamide is CC(C)(C)NS(=O)c1ccccc1Cl.
What is the InChIKey of N-tert-butyl-2-chlorobenzenesulfinamide?
The InChIKey is DJUWRFMHPCTXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-10(2,3)12-14(13)9-7-5-4-6-8(9)11/h4-7,12H,1-3H3.
What are the key properties of N-tert-butyl-2-chlorobenzenesulfinamide?
N-tert-butyl-2-chlorobenzenesulfinamide has a molecular weight of 231.75 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chlorobenzenesulfinamide is sourced from PubChem (CID 11020737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).