1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide

C18H18N2O3S — CID 90624657

IUPAC1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NC1CCCc2ccccc21
InChIInChI=1S/C18H18N2O3S/c21-24(22,12-17-15-9-3-4-11-18(15)23-19-17)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-9,11,16,20H,5,7,10,12H2
InChIKeyAKHSICDVPHKSFL-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.32
Rot. Bonds4

About 1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide (PubChem CID 90624657) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
PubChem CID90624657
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NC1CCCc2ccccc21
InChIInChI=1S/C18H18N2O3S/c21-24(22,12-17-15-9-3-4-11-18(15)23-19-17)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-9,11,16,20H,5,7,10,12H2
InChIKeyAKHSICDVPHKSFL-UHFFFAOYSA-N
XLogP3.32
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
CID 128995165
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 79578857
1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94013011
1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43885248
1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 92679624
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43906029
1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide
CID 126782515
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide (CID 90624657) is 1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)NC1CCCc2ccccc21.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
The InChIKey is AKHSICDVPHKSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-24(22,12-17-15-9-3-4-11-18(15)23-19-17)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-9,11,16,20H,5,7,10,12H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 90624657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).