5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide

C21H17ClN2O4S — CID 86687362

IUPAC5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide
SMILESCOc1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3cc(C)on3)ccc12
InChIInChI=1S/C21H17ClN2O4S/c1-13-10-21(23-28-13)24-29(25,26)16-7-9-17-14(11-16)4-3-5-18(17)19-8-6-15(22)12-20(19)27-2/h3-12H,1-2H3,(H,23,24)
InChIKeyLGOSWMPWDYVHKT-UHFFFAOYSA-N
MW428.90 g/mol
LogP5.27
Rot. Bonds5

About 5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide

5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide (PubChem CID 86687362) has the molecular formula C21H17ClN2O4S and a molecular weight of 428.90 g/mol. Its IUPAC name is 5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide
PubChem CID86687362
Molecular FormulaC21H17ClN2O4S
Molecular Weight428.90 g/mol
Exact Mass428.06
IUPAC Name5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide
SMILESCOc1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3cc(C)on3)ccc12
InChIInChI=1S/C21H17ClN2O4S/c1-13-10-21(23-28-13)24-29(25,26)16-7-9-17-14(11-16)4-3-5-18(17)19-8-6-15(22)12-20(19)27-2/h3-12H,1-2H3,(H,23,24)
InChIKeyLGOSWMPWDYVHKT-UHFFFAOYSA-N
XLogP5.27
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.90
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1181025
N-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 27229043
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 717534
3-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 14150694
2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 11271175
4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 71671387
3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 9067995
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 2252935
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 4545791
CID 57350054
CID 57350054

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide?
The IUPAC name of 5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide (CID 86687362) is 5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for 5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide?
The canonical SMILES for 5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide is COc1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3cc(C)on3)ccc12.
What is the InChIKey of 5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide?
The InChIKey is LGOSWMPWDYVHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4S/c1-13-10-21(23-28-13)24-29(25,26)16-7-9-17-14(11-16)4-3-5-18(17)19-8-6-15(22)12-20(19)27-2/h3-12H,1-2H3,(H,23,24).
What are the key properties of 5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide?
5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide has a molecular weight of 428.90 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 86687362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).