4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide

C17H14Cl2N2O3S2 — CID 58108465

IUPAC4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)sn1
InChIInChI=1S/C17H14Cl2N2O3S2/c1-24-17-9-13(25-21-17)10-20-26(22,23)14-5-2-11(3-6-14)15-7-4-12(18)8-16(15)19/h2-9,20H,10H2,1H3
InChIKeyDGEFOOVXWXHUSH-UHFFFAOYSA-N
MW429.35 g/mol
LogP4.60
Rot. Bonds6

About 4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide

4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 58108465) has the molecular formula C17H14Cl2N2O3S2 and a molecular weight of 429.35 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID58108465
Molecular FormulaC17H14Cl2N2O3S2
Molecular Weight429.35 g/mol
Exact Mass427.98
IUPAC Name4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)sn1
InChIInChI=1S/C17H14Cl2N2O3S2/c1-24-17-9-13(25-21-17)10-20-26(22,23)14-5-2-11(3-6-14)15-7-4-12(18)8-16(15)19/h2-9,20H,10H2,1H3
InChIKeyDGEFOOVXWXHUSH-UHFFFAOYSA-N
XLogP4.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide (CID 58108465) is 4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide is COc1cc(CNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)sn1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is DGEFOOVXWXHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3S2/c1-24-17-9-13(25-21-17)10-20-26(22,23)14-5-2-11(3-6-14)15-7-4-12(18)8-16(15)19/h2-9,20H,10H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide?
4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 429.35 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 58108465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).