N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide

C9H11F3N2O4S2 — CID 2805852

IUPACN-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O4S2/c1-19(15,16)13-7-3-6(9(10,11)12)4-8(5-7)14-20(2,17)18/h3-5,13-14H,1-2H3
InChIKeyKIZBCEOQFOEQPK-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.45
Rot. Bonds4

About N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide

N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 2805852) has the molecular formula C9H11F3N2O4S2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID2805852
Molecular FormulaC9H11F3N2O4S2
Molecular Weight332.33 g/mol
Exact Mass332.01
IUPAC NameN-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O4S2/c1-19(15,16)13-7-3-6(9(10,11)12)4-8(5-7)14-20(2,17)18/h3-5,13-14H,1-2H3
InChIKeyKIZBCEOQFOEQPK-UHFFFAOYSA-N
XLogP1.45
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 118028245
N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 116700910
N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 116700912
N-(3,5-difluoro-4-methylphenyl)methanesulfonamide
CID 166140237
N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 3734435
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide
CID 25022575
3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 154810388
N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide
CID 130662680
N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26950039
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 107652535
tetrakis(N-[3,5-bis(trifluoromethyl)phenyl]sulfamate);tetrakis(tetrabutylazanium)
CID 139182956
3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
CID 114805782

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide (CID 2805852) is N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is KIZBCEOQFOEQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4S2/c1-19(15,16)13-7-3-6(9(10,11)12)4-8(5-7)14-20(2,17)18/h3-5,13-14H,1-2H3.
What are the key properties of N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide?
N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 332.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 2805852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).