3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide

C20H16ClN3O3S — CID 143878913

IUPAC3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(S(=O)(=O)Nc2ccc3c(-c4nc(C)no4)cccc3c2)c1
InChIInChI=1S/C20H16ClN3O3S/c1-12-8-15(21)11-17(9-12)28(25,26)24-16-6-7-18-14(10-16)4-3-5-19(18)20-22-13(2)23-27-20/h3-11,24H,1-2H3
InChIKeyNXCGOJMKCNSGJQ-UHFFFAOYSA-N
MW413.89 g/mol
LogP4.96
Rot. Bonds4

About 3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide

3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide (PubChem CID 143878913) has the molecular formula C20H16ClN3O3S and a molecular weight of 413.89 g/mol. Its IUPAC name is 3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide
PubChem CID143878913
Molecular FormulaC20H16ClN3O3S
Molecular Weight413.89 g/mol
Exact Mass413.06
IUPAC Name3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(S(=O)(=O)Nc2ccc3c(-c4nc(C)no4)cccc3c2)c1
InChIInChI=1S/C20H16ClN3O3S/c1-12-8-15(21)11-17(9-12)28(25,26)24-16-6-7-18-14(10-16)4-3-5-19(18)20-22-13(2)23-27-20/h3-11,24H,1-2H3
InChIKeyNXCGOJMKCNSGJQ-UHFFFAOYSA-N
XLogP4.96
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643674
3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418417
2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643728
4-fluoro-3-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643729
5-chloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418448
3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide
CID 58497033
5-(4-chloro-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-2-sulfonamide
CID 86687362
[4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid
CID 68972956
3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide
CID 87200093
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide (CID 143878913) is 3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide is Cc1cc(Cl)cc(S(=O)(=O)Nc2ccc3c(-c4nc(C)no4)cccc3c2)c1.
What is the InChIKey of 3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide?
The InChIKey is NXCGOJMKCNSGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S/c1-12-8-15(21)11-17(9-12)28(25,26)24-16-6-7-18-14(10-16)4-3-5-19(18)20-22-13(2)23-27-20/h3-11,24H,1-2H3.
What are the key properties of 3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide?
3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide has a molecular weight of 413.89 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide is sourced from PubChem (CID 143878913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).