(3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine

C10H11Cl2NO4S2 — CID 171357689

IUPAC(3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine
SMILESN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO4S2/c11-7-2-1-6(3-8(7)12)19(16,17)10-5-18(14,15)4-9(10)13/h1-3,9-10H,4-5,13H2/t9-,10-/m0/s1
InChIKeyYZJOCNGITLUBPN-UWVGGRQHSA-N
MW344.24 g/mol
LogP0.89
Rot. Bonds2

About (3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine

(3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine (PubChem CID 171357689) has the molecular formula C10H11Cl2NO4S2 and a molecular weight of 344.24 g/mol. Its IUPAC name is (3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine
PubChem CID171357689
Molecular FormulaC10H11Cl2NO4S2
Molecular Weight344.24 g/mol
Exact Mass342.95
IUPAC Name(3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine
SMILESN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO4S2/c11-7-2-1-6(3-8(7)12)19(16,17)10-5-18(14,15)4-9(10)13/h1-3,9-10H,4-5,13H2/t9-,10-/m0/s1
InChIKeyYZJOCNGITLUBPN-UWVGGRQHSA-N
XLogP0.89
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-yl]amino]ethanesulfonamide
CID 171355797
6-[[(3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-yl]amino]hexanoic acid
CID 171353945
(3S,4S)-4-amino-1,1-dioxothiolane-3-sulfonic acid
CID 134811451
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
3,4-dichlorobenzenesulfonohydrazide
CID 2735965
(3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 20898028
N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide
CID 79113991
N-(4-amino-1,1-dioxothiolan-3-yl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 166333822
(3S,4R)-4-(4-tert-butylphenyl)sulfonyl-N-[(2-chlorophenyl)methyl]-1,1-dioxothiolan-3-amine
CID 39774699
(3R,4S)-4-(4-chlorophenyl)sulfonyl-1,1-dioxo-N-propylthiolan-3-amine
CID 124655517
2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine
CID 64675129
4-(2-bicyclo[2.2.1]heptanylsulfonyl)-2-chloroaniline
CID 114247052

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine?
The IUPAC name of (3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine (CID 171357689) is (3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine is N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine?
The InChIKey is YZJOCNGITLUBPN-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H11Cl2NO4S2/c11-7-2-1-6(3-8(7)12)19(16,17)10-5-18(14,15)4-9(10)13/h1-3,9-10H,4-5,13H2/t9-,10-/m0/s1.
What are the key properties of (3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine?
(3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine has a molecular weight of 344.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 171357689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).