4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide

C19H15F2NO3S — CID 166369016

IUPAC4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2c1
InChIInChI=1S/C19H15F2NO3S/c1-12-10-14-4-2-3-5-16(14)17(11-12)22-18(23)13-6-8-15(9-7-13)26(24,25)19(20)21/h2-11,19H,1H3,(H,22,23)
InChIKeyLQDDLYRBQVRTPJ-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.40
Rot. Bonds4

About 4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide

4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide (PubChem CID 166369016) has the molecular formula C19H15F2NO3S and a molecular weight of 375.40 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide
PubChem CID166369016
Molecular FormulaC19H15F2NO3S
Molecular Weight375.40 g/mol
Exact Mass375.07
IUPAC Name4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2c1
InChIInChI=1S/C19H15F2NO3S/c1-12-10-14-4-2-3-5-16(14)17(11-12)22-18(23)13-6-8-15(9-7-13)26(24,25)19(20)21/h2-11,19H,1H3,(H,22,23)
InChIKeyLQDDLYRBQVRTPJ-UHFFFAOYSA-N
XLogP4.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8780386
N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
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CID 8749517
N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8713756
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8502246
4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
CID 55700509
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
CID 8913372
4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 4876013
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide
CID 86821736
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 2668895

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide (CID 166369016) is 4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2c1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide?
The InChIKey is LQDDLYRBQVRTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3S/c1-12-10-14-4-2-3-5-16(14)17(11-12)22-18(23)13-6-8-15(9-7-13)26(24,25)19(20)21/h2-11,19H,1H3,(H,22,23).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide?
4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide has a molecular weight of 375.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide is sourced from PubChem (CID 166369016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).