N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C18H17ClN2O4S — CID 46966646

IUPACN-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NC3(c4ccc(Cl)cc4)CCC3)ccc21
InChIInChI=1S/C18H17ClN2O4S/c1-21-15-8-7-14(11-16(15)25-17(21)22)26(23,24)20-18(9-2-10-18)12-3-5-13(19)6-4-12/h3-8,11,20H,2,9-10H2,1H3
InChIKeyFRZOWZDNNKANLI-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.14
Rot. Bonds4

About N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 46966646) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID46966646
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC NameN-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NC3(c4ccc(Cl)cc4)CCC3)ccc21
InChIInChI=1S/C18H17ClN2O4S/c1-21-15-8-7-14(11-16(15)25-17(21)22)26(23,24)20-18(9-2-10-18)12-3-5-13(19)6-4-12/h3-8,11,20H,2,9-10H2,1H3
InChIKeyFRZOWZDNNKANLI-UHFFFAOYSA-N
XLogP3.14
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 20858987
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
N-[4-(4-chlorophenyl)butyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110357510
N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 70124119
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713207
N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113091090
3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide
CID 61394264
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515
3-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 120720114

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 46966646) is N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)NC3(c4ccc(Cl)cc4)CCC3)ccc21.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is FRZOWZDNNKANLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-21-15-8-7-14(11-16(15)25-17(21)22)26(23,24)20-18(9-2-10-18)12-3-5-13(19)6-4-12/h3-8,11,20H,2,9-10H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 392.86 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 46966646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).