N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide

C17H18ClNO5S2 — CID 20995143

IUPACN-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C17H18ClNO5S2/c18-14-3-1-13(2-4-14)11-24-16-7-5-15(6-8-16)19-26(22,23)17-9-10-25(20,21)12-17/h1-8,17,19H,9-12H2
InChIKeyIRHJNJOKTHLNEE-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.85
Rot. Bonds6

About N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide

N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 20995143) has the molecular formula C17H18ClNO5S2 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID20995143
Molecular FormulaC17H18ClNO5S2
Molecular Weight415.92 g/mol
Exact Mass415.03
IUPAC NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C17H18ClNO5S2/c18-14-3-1-13(2-4-14)11-24-16-7-5-15(6-8-16)19-26(22,23)17-9-10-25(20,21)12-17/h1-8,17,19H,9-12H2
InChIKeyIRHJNJOKTHLNEE-UHFFFAOYSA-N
XLogP2.85
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827654
N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 43827652
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide
CID 110300131
N-(3-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 3738067
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
N-(4-chloropyrimidin-2-yl)-1,1-dioxothiolane-3-sulfonamide
CID 114052602
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide
CID 63931452
N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 123858661
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 43361376
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
CID 108941138
2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide
CID 108992910

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide (CID 20995143) is N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is IRHJNJOKTHLNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S2/c18-14-3-1-13(2-4-14)11-24-16-7-5-15(6-8-16)19-26(22,23)17-9-10-25(20,21)12-17/h1-8,17,19H,9-12H2.
What are the key properties of N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide?
N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 415.92 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 20995143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).