4-chloro-2-deuterio-N-phenylbenzenesulfinamide

C12H10ClNOS — CID 12568382

IUPAC4-chloro-2-deuterio-N-phenylbenzenesulfinamide
SMILES[2H]c1cc(Cl)ccc1S(=O)Nc1ccccc1
InChIInChI=1S/C12H10ClNOS/c13-10-6-8-12(9-7-10)16(15)14-11-4-2-1-3-5-11/h1-9,14H/i8D
InChIKeyGBJXBJOPDAAFBD-BNEYPBHNSA-N
MW252.74 g/mol
LogP3.47
Rot. Bonds3

About 4-chloro-2-deuterio-N-phenylbenzenesulfinamide

4-chloro-2-deuterio-N-phenylbenzenesulfinamide (PubChem CID 12568382) has the molecular formula C12H10ClNOS and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-chloro-2-deuterio-N-phenylbenzenesulfinamide.

Molecular Properties

Compound Name4-chloro-2-deuterio-N-phenylbenzenesulfinamide
PubChem CID12568382
Molecular FormulaC12H10ClNOS
Molecular Weight252.74 g/mol
Exact Mass252.02
IUPAC Name4-chloro-2-deuterio-N-phenylbenzenesulfinamide
SMILES[2H]c1cc(Cl)ccc1S(=O)Nc1ccccc1
InChIInChI=1S/C12H10ClNOS/c13-10-6-8-12(9-7-10)16(15)14-11-4-2-1-3-5-11/h1-9,14H/i8D
InChIKeyGBJXBJOPDAAFBD-BNEYPBHNSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chlorophenyl)-4-methylbenzenesulfinamide
CID 581510
N-(4-acetylphenyl)-4-chlorobenzenesulfinamide
CID 577763
1-(benzenesulfinylsulfinyl)-4-chlorobenzene
CID 57199201
2-(4-chlorophenyl)-N-phenylethenesulfinamide
CID 3716001
4-chloro-N-methylbenzenesulfinamide
CID 143373382
4-(4-chlorophenyl)sulfinyl-N-methylaniline
CID 53343997
1,4-dichloro-2-deuteriobenzene
CID 20825014
(2S)-2-amino-3-[5-(4-chlorophenyl)sulfinamoyl-2-methylphenyl]propanoic acid
CID 177279901
2-phenylethynyl 4-chlorobenzenesulfinate
CID 101139542
1-chloro-3-[(R)-phenylsulfinyl]benzene
CID 93022884
N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide
CID 67712585
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-deuterio-N-phenylbenzenesulfinamide?
The IUPAC name of 4-chloro-2-deuterio-N-phenylbenzenesulfinamide (CID 12568382) is 4-chloro-2-deuterio-N-phenylbenzenesulfinamide.
What is the SMILES notation for 4-chloro-2-deuterio-N-phenylbenzenesulfinamide?
The canonical SMILES for 4-chloro-2-deuterio-N-phenylbenzenesulfinamide is [2H]c1cc(Cl)ccc1S(=O)Nc1ccccc1.
What is the InChIKey of 4-chloro-2-deuterio-N-phenylbenzenesulfinamide?
The InChIKey is GBJXBJOPDAAFBD-BNEYPBHNSA-N. The full InChI is InChI=1S/C12H10ClNOS/c13-10-6-8-12(9-7-10)16(15)14-11-4-2-1-3-5-11/h1-9,14H/i8D.
What are the key properties of 4-chloro-2-deuterio-N-phenylbenzenesulfinamide?
4-chloro-2-deuterio-N-phenylbenzenesulfinamide has a molecular weight of 252.74 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-deuterio-N-phenylbenzenesulfinamide is sourced from PubChem (CID 12568382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).