5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide

C15H20ClF2NO4S — CID 154755410

IUPAC5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N(CCO)CC(F)F
InChIInChI=1S/C15H20ClF2NO4S/c16-12-3-4-13(23-8-5-11-1-2-11)14(9-12)24(21,22)19(6-7-20)10-15(17)18/h3-4,9,11,15,20H,1-2,5-8,10H2
InChIKeyOSONVVRLRVJKHS-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.77
Rot. Bonds10

About 5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide

5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 154755410) has the molecular formula C15H20ClF2NO4S and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID154755410
Molecular FormulaC15H20ClF2NO4S
Molecular Weight383.84 g/mol
Exact Mass383.08
IUPAC Name5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N(CCO)CC(F)F
InChIInChI=1S/C15H20ClF2NO4S/c16-12-3-4-13(23-8-5-11-1-2-11)14(9-12)24(21,22)19(6-7-20)10-15(17)18/h3-4,9,11,15,20H,1-2,5-8,10H2
InChIKeyOSONVVRLRVJKHS-UHFFFAOYSA-N
XLogP2.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride
CID 165460566
5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107483631
N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide
CID 126779567
(3S)-1-[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonyl-3-(difluoromethoxy)pyrrolidine
CID 126812285
3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide
CID 167930626
5-chloro-2-(2-cyclopropylethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825342
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid
CID 165453775
2,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483777
4-amino-2-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107478030
3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477979
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 107485920

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide (CID 154755410) is 5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N(CCO)CC(F)F.
What is the InChIKey of 5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is OSONVVRLRVJKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2NO4S/c16-12-3-4-13(23-8-5-11-1-2-11)14(9-12)24(21,22)19(6-7-20)10-15(17)18/h3-4,9,11,15,20H,1-2,5-8,10H2.
What are the key properties of 5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 383.84 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 154755410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).