N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C18H18N2O5S — CID 35547980

IUPACN-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(OC4CCCC4)c3)cc2o1
InChIInChI=1S/C18H18N2O5S/c21-18-19-16-9-8-15(11-17(16)25-18)26(22,23)20-12-4-3-7-14(10-12)24-13-5-1-2-6-13/h3-4,7-11,13,20H,1-2,5-6H2,(H,19,21)
InChIKeyZXPYBVBKXMWWGA-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.24
Rot. Bonds5

About N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 35547980) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID35547980
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(OC4CCCC4)c3)cc2o1
InChIInChI=1S/C18H18N2O5S/c21-18-19-16-9-8-15(11-17(16)25-18)26(22,23)20-12-4-3-7-14(10-12)24-13-5-1-2-6-13/h3-4,7-11,13,20H,1-2,5-6H2,(H,19,21)
InChIKeyZXPYBVBKXMWWGA-UHFFFAOYSA-N
XLogP3.24
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide
CID 35547755
N-cyclopropyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 46680383
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43018778
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648168
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 55735768
2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 146024988
2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110868860
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 155962881
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 25326023

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 35547980) is N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(OC4CCCC4)c3)cc2o1.
What is the InChIKey of N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is ZXPYBVBKXMWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c21-18-19-16-9-8-15(11-17(16)25-18)26(22,23)20-12-4-3-7-14(10-12)24-13-5-1-2-6-13/h3-4,7-11,13,20H,1-2,5-6H2,(H,19,21).
What are the key properties of N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 374.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 35547980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).