N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H17ClN4O3S — CID 113012335

IUPACN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H17ClN4O3S/c1-11-17(12(2)25-21-11)26(23,24)22-15-7-8-16(20-10-15)19-9-13-3-5-14(18)6-4-13/h3-8,10,22H,9H2,1-2H3,(H,19,20)
InChIKeyLJZIJDVAMCZITQ-UHFFFAOYSA-N
MW392.87 g/mol
LogP3.75
Rot. Bonds6

About N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113012335) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113012335
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC NameN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H17ClN4O3S/c1-11-17(12(2)25-21-11)26(23,24)22-15-7-8-16(20-10-15)19-9-13-3-5-14(18)6-4-13/h3-8,10,22H,9H2,1-2H3,(H,19,20)
InChIKeyLJZIJDVAMCZITQ-UHFFFAOYSA-N
XLogP3.75
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113011636
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012323
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
3,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113009202
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113023189
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113012183
3,5-dimethyl-N-(6-methylsulfanyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 71878682
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
N-[6-(2-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113019369
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113022734

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113012335) is N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is LJZIJDVAMCZITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c1-11-17(12(2)25-21-11)26(23,24)22-15-7-8-16(20-10-15)19-9-13-3-5-14(18)6-4-13/h3-8,10,22H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 392.87 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113012335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).