N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide

C14H20N2O8S4 — CID 43827652

IUPACN-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2cccc(NS(=O)(=O)C3CCS(=O)(=O)C3)c2)C1
InChIInChI=1S/C14H20N2O8S4/c17-25(18)6-4-13(9-25)27(21,22)15-11-2-1-3-12(8-11)16-28(23,24)14-5-7-26(19,20)10-14/h1-3,8,13-16H,4-7,9-10H2
InChIKeyQKTLBRFOYZGCCJ-UHFFFAOYSA-N
MW472.59 g/mol
LogP-0.46
Rot. Bonds6

About N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide

N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 43827652) has the molecular formula C14H20N2O8S4 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID43827652
Molecular FormulaC14H20N2O8S4
Molecular Weight472.59 g/mol
Exact Mass472.01
IUPAC NameN-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2cccc(NS(=O)(=O)C3CCS(=O)(=O)C3)c2)C1
InChIInChI=1S/C14H20N2O8S4/c17-25(18)6-4-13(9-25)27(21,22)15-11-2-1-3-12(8-11)16-28(23,24)14-5-7-26(19,20)10-14/h1-3,8,13-16H,4-7,9-10H2
InChIKeyQKTLBRFOYZGCCJ-UHFFFAOYSA-N
XLogP-0.46
TPSA160.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 3738067
N-(3-aminophenyl)-1,1-dioxothiane-4-sulfonamide
CID 62086003
N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827654
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 43361376
N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
CID 103777911
(3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 40548256
1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide
CID 63931452
3-[(1,1-dioxothian-4-yl)sulfonylamino]benzenecarbothioamide
CID 62083528
N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
CID 103098191
1,1-dioxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiolane-3-sulfonamide
CID 80547650
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 20995143

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide (CID 43827652) is N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)Nc2cccc(NS(=O)(=O)C3CCS(=O)(=O)C3)c2)C1.
What is the InChIKey of N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is QKTLBRFOYZGCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O8S4/c17-25(18)6-4-13(9-25)27(21,22)15-11-2-1-3-12(8-11)16-28(23,24)14-5-7-26(19,20)10-14/h1-3,8,13-16H,4-7,9-10H2.
What are the key properties of N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide?
N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 472.59 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 43827652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).