N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C18H17N3O4S — CID 110427909

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc2n1C
InChIInChI=1S/C18H17N3O4S/c1-11-7-13-8-12(3-6-16(13)21(11)2)10-19-26(23,24)14-4-5-15-17(9-14)25-18(22)20-15/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyVZJYRIDWEADEQE-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.40
Rot. Bonds4

About N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110427909) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110427909
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc2n1C
InChIInChI=1S/C18H17N3O4S/c1-11-7-13-8-12(3-6-16(13)21(11)2)10-19-26(23,24)14-4-5-15-17(9-14)25-18(22)20-15/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyVZJYRIDWEADEQE-UHFFFAOYSA-N
XLogP2.40
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427929
4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide
CID 3438770
N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 4299391
2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110405075
N-[(6-methylpyridazin-3-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110738013
2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
CID 167864480
N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110719026
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786834
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 46971928
N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110733943
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110319637

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110427909) is N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is Cc1cc2cc(CNS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is VZJYRIDWEADEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-11-7-13-8-12(3-6-16(13)21(11)2)10-19-26(23,24)14-4-5-15-17(9-14)25-18(22)20-15/h3-9,19H,10H2,1-2H3,(H,20,22).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 371.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110427909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).