4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide

C22H19F2N3O4S — CID 55700509

IUPAC4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C22H19F2N3O4S/c1-14-7-10-17(26-22(29)25-16-5-3-2-4-6-16)13-19(14)27-20(28)15-8-11-18(12-9-15)32(30,31)21(23)24/h2-13,21H,1H3,(H,27,28)(H2,25,26,29)
InChIKeyDZHWNUGRTPAFRW-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.89
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide

4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide (PubChem CID 55700509) has the molecular formula C22H19F2N3O4S and a molecular weight of 459.47 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
PubChem CID55700509
Molecular FormulaC22H19F2N3O4S
Molecular Weight459.47 g/mol
Exact Mass459.11
IUPAC Name4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C22H19F2N3O4S/c1-14-7-10-17(26-22(29)25-16-5-3-2-4-6-16)13-19(14)27-20(28)15-8-11-18(12-9-15)32(30,31)21(23)24/h2-13,21H,1H3,(H,27,28)(H2,25,26,29)
InChIKeyDZHWNUGRTPAFRW-UHFFFAOYSA-N
XLogP4.89
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8502246
N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
CID 139878369
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide
CID 26898694
4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 78829368
4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide
CID 166369016
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
1-(benzenesulfonyl)-3-[3-(benzenesulfonylcarbamoylamino)-4-methylphenyl]urea
CID 19607159
N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8713756
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide (CID 55700509) is 4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide is Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide?
The InChIKey is DZHWNUGRTPAFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O4S/c1-14-7-10-17(26-22(29)25-16-5-3-2-4-6-16)13-19(14)27-20(28)15-8-11-18(12-9-15)32(30,31)21(23)24/h2-13,21H,1H3,(H,27,28)(H2,25,26,29).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide?
4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide has a molecular weight of 459.47 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 55700509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).