(3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

C22H17ClN2O6S4 — CID 25043128

IUPAC(3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(OCc1cccc(Cl)c1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C22H17ClN2O6S4/c23-17-5-1-4-15(10-17)14-31-22(26)16-11-18(24-34(27,28)20-6-2-8-32-20)13-19(12-16)25-35(29,30)21-7-3-9-33-21/h1-13,24-25H,14H2
InChIKeyBVQWPTCRYGQVOX-UHFFFAOYSA-N
MW569.11 g/mol
LogP5.42
Rot. Bonds9

About (3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

(3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 25043128) has the molecular formula C22H17ClN2O6S4 and a molecular weight of 569.11 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
PubChem CID25043128
Molecular FormulaC22H17ClN2O6S4
Molecular Weight569.11 g/mol
Exact Mass567.97
IUPAC Name(3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(OCc1cccc(Cl)c1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C22H17ClN2O6S4/c23-17-5-1-4-15(10-17)14-31-22(26)16-11-18(24-34(27,28)20-6-2-8-32-20)13-19(12-16)25-35(29,30)21-7-3-9-33-21/h1-13,24-25H,14H2
InChIKeyBVQWPTCRYGQVOX-UHFFFAOYSA-N
XLogP5.42
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.11
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(4-cyanophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 2412693
[2-(3,5-dichloroanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25039023
(3-nitrophenyl)methyl 4-(thiophen-2-ylsulfonylamino)benzoate
CID 4309951
(3,3-dimethyl-2-oxobutyl) 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25037570
(3-chlorophenyl)methyl 3,5-diacetamidobenzoate
CID 30097917
N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 2386135
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25038628
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25046514
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25036748

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of (3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate (CID 25043128) is (3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for (3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for (3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate is O=C(OCc1cccc(Cl)c1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of (3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is BVQWPTCRYGQVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O6S4/c23-17-5-1-4-15(10-17)14-31-22(26)16-11-18(24-34(27,28)20-6-2-8-32-20)13-19(12-16)25-35(29,30)21-7-3-9-33-21/h1-13,24-25H,14H2.
What are the key properties of (3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate?
(3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 569.11 g/mol, XLogP of 5.42, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 25043128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).