N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

C10H10ClNO2S — CID 2973444

IUPACN-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(Nc2cccc(Cl)c2)C1
InChIInChI=1S/C10H10ClNO2S/c11-8-2-1-3-9(6-8)12-10-4-5-15(13,14)7-10/h1-6,10,12H,7H2
InChIKeyUGUVUDMRBPYWNO-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.06
Rot. Bonds2

About N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 2973444) has the molecular formula C10H10ClNO2S and a molecular weight of 243.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID2973444
Molecular FormulaC10H10ClNO2S
Molecular Weight243.72 g/mol
Exact Mass243.01
IUPAC NameN-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(Nc2cccc(Cl)c2)C1
InChIInChI=1S/C10H10ClNO2S/c11-8-2-1-3-9(6-8)12-10-4-5-15(13,14)7-10/h1-6,10,12H,7H2
InChIKeyUGUVUDMRBPYWNO-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 589052
3-({[(4-Chlorophenyl)amino]thioxomethyl}amino)thiolane-1,1-dione
CID 2905997
4-(4-Chloro-phenylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol
CID 3154107
N-(3-chlorophenyl)-N'-(1,1-dioxidotetrahydro-3-thienyl)urea
CID 2963356
(3S,4R)-4-(4-Chloro-phenylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol
CID 6974601
1-(4-Chlorophenyl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 2831162
{2-[(4-Chlorophenyl)amino]ethyl}fluorosulfone
CID 5092096
3-Anilino-1lambda~6~-thiolane-1,1-dione
CID 2897761
3-(4-Chloroanilino)-2-(isopropylsulfonyl)acrylonitrile
CID 4594739
N-(2-fluorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 4752854
N-(2-chloro-4-nitrophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 45843325
1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine
CID 1380383

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 2973444) is N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is O=S1(=O)C=CC(Nc2cccc(Cl)c2)C1.
What is the InChIKey of N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is UGUVUDMRBPYWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c11-8-2-1-3-9(6-8)12-10-4-5-15(13,14)7-10/h1-6,10,12H,7H2.
What are the key properties of N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 243.72 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 2973444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).