4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide

C20H20N2O3S — CID 20917434

IUPAC4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NC3CCCc4ccccc43)cc2)on1
InChIInChI=1S/C20H20N2O3S/c1-14-13-20(25-21-14)16-9-11-17(12-10-16)26(23,24)22-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-13,19,22H,4,6,8H2,1H3
InChIKeyZNHCONNUKSCQCQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.01
Rot. Bonds4

About 4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide

4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide (PubChem CID 20917434) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
PubChem CID20917434
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NC3CCCc4ccccc43)cc2)on1
InChIInChI=1S/C20H20N2O3S/c1-14-13-20(25-21-14)16-9-11-17(12-10-16)26(23,24)22-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-13,19,22H,4,6,8H2,1H3
InChIKeyZNHCONNUKSCQCQ-UHFFFAOYSA-N
XLogP4.01
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 95064437
4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20917438
4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43876005
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4779685
2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777909
3-bromo-4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43916531
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 1167006
3-bromo-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30325571
4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20914803
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-benzoxazine-6-sulfonamide
CID 94091203
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide (CID 20917434) is 4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NC3CCCc4ccccc43)cc2)on1.
What is the InChIKey of 4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is ZNHCONNUKSCQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14-13-20(25-21-14)16-9-11-17(12-10-16)26(23,24)22-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-13,19,22H,4,6,8H2,1H3.
What are the key properties of 4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 20917434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).