N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide

C20H18N2O3S — CID 59081622

IUPACN-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(o2)CCC=C3)cc1
InChIInChI=1S/C20H18N2O3S/c1-14-10-12-15(13-11-14)26(23,24)22-17-7-3-2-6-16(17)20-21-18-8-4-5-9-19(18)25-20/h2-4,6-8,10-13,22H,5,9H2,1H3
InChIKeyDXHNGICCRYCDDP-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.41
Rot. Bonds4

About N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide

N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 59081622) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID59081622
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(o2)CCC=C3)cc1
InChIInChI=1S/C20H18N2O3S/c1-14-10-12-15(13-11-14)26(23,24)22-17-7-3-2-6-16(17)20-21-18-8-4-5-9-19(18)25-20/h2-4,6-8,10-13,22H,5,9H2,1H3
InChIKeyDXHNGICCRYCDDP-UHFFFAOYSA-N
XLogP4.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 101406239
N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 25045980
4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide
CID 169371778
4-methyl-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332728
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332736
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 30332754
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370766
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
CID 23613647
4-methyl-N-(2-methylindazol-7-yl)benzenesulfonamide
CID 169370772

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide (CID 59081622) is N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(o2)CCC=C3)cc1.
What is the InChIKey of N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is DXHNGICCRYCDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-14-10-12-15(13-11-14)26(23,24)22-17-7-3-2-6-16(17)20-21-18-8-4-5-9-19(18)25-20/h2-4,6-8,10-13,22H,5,9H2,1H3.
What are the key properties of N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 59081622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).