2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H10Cl2F3NO3S — CID 107483777

IUPAC2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H10Cl2F3NO3S/c11-7-1-2-8(12)9(5-7)20(18,19)16(3-4-17)6-10(13,14)15/h1-2,5,17H,3-4,6H2
InChIKeyCURHSOUZLRDIKR-UHFFFAOYSA-N
MW352.16 g/mol
LogP2.54
Rot. Bonds5

About 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 107483777) has the molecular formula C10H10Cl2F3NO3S and a molecular weight of 352.16 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID107483777
Molecular FormulaC10H10Cl2F3NO3S
Molecular Weight352.16 g/mol
Exact Mass350.97
IUPAC Name2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H10Cl2F3NO3S/c11-7-1-2-8(12)9(5-7)20(18,19)16(3-4-17)6-10(13,14)15/h1-2,5,17H,3-4,6H2
InChIKeyCURHSOUZLRDIKR-UHFFFAOYSA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483813
4-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483806
2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493038
2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide
CID 74229500
2-[(4-chloro-2-fluorophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265480
5-amino-4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 116530121
3-cyano-4-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107479743
2-[(4-chloro-2-methylphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265464
N-(2-bromoethyl)-N-butyl-2,5-dichlorobenzenesulfonamide
CID 80669261
3-fluoro-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483804
2,3,4-trichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 50876379
3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107481602

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 107483777) is 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(c1cc(Cl)ccc1Cl)N(CCO)CC(F)(F)F.
What is the InChIKey of 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is CURHSOUZLRDIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO3S/c11-7-1-2-8(12)9(5-7)20(18,19)16(3-4-17)6-10(13,14)15/h1-2,5,17H,3-4,6H2.
What are the key properties of 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 352.16 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 107483777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).