N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide

C10H13F2NO3S — CID 103836711

IUPACN-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)C(F)F)cc1
InChIInChI=1S/C10H13F2NO3S/c1-7-2-4-8(5-3-7)17(15,16)13-6-9(14)10(11)12/h2-5,9-10,13-14H,6H2,1H3
InChIKeySJTVWDVGHOJXAC-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.90
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide (PubChem CID 103836711) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide
PubChem CID103836711
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)C(F)F)cc1
InChIInChI=1S/C10H13F2NO3S/c1-7-2-4-8(5-3-7)17(15,16)13-6-9(14)10(11)12/h2-5,9-10,13-14H,6H2,1H3
InChIKeySJTVWDVGHOJXAC-UHFFFAOYSA-N
XLogP0.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide (CID 103836711) is N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(O)C(F)F)cc1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide?
The InChIKey is SJTVWDVGHOJXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-7-2-4-8(5-3-7)17(15,16)13-6-9(14)10(11)12/h2-5,9-10,13-14H,6H2,1H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide has a molecular weight of 265.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 103836711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).