N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C18H19N3O5S — CID 110362086

IUPACN-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCOc1ccc(N2CCCC2)cc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C18H19N3O5S/c1-25-16-7-4-12(21-8-2-3-9-21)10-15(16)20-27(23,24)13-5-6-14-17(11-13)26-18(22)19-14/h4-7,10-11,20H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyOSSOPVSNJRWAKX-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.53
Rot. Bonds5

About N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110362086) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110362086
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCOc1ccc(N2CCCC2)cc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C18H19N3O5S/c1-25-16-7-4-12(21-8-2-3-9-21)10-15(16)20-27(23,24)13-5-6-14-17(11-13)26-18(22)19-14/h4-7,10-11,20H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyOSSOPVSNJRWAKX-UHFFFAOYSA-N
XLogP2.53
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 39919060
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43018778
2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110405075
N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110359714
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359732
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359854
3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837
N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
CID 110676977

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110362086) is N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is COc1ccc(N2CCCC2)cc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is OSSOPVSNJRWAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-25-16-7-4-12(21-8-2-3-9-21)10-15(16)20-27(23,24)13-5-6-14-17(11-13)26-18(22)19-14/h4-7,10-11,20H,2-3,8-9H2,1H3,(H,19,22).
What are the key properties of N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 389.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110362086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).