2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide

C16H17Cl2NO3S — CID 164612298

IUPAC2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESCCN(c1ccc(CCO)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2NO3S/c1-2-19(14-6-3-12(4-7-14)9-10-20)23(21,22)16-11-13(17)5-8-15(16)18/h3-8,11,20H,2,9-10H2,1H3
InChIKeyVFWHMHPQJLGUDC-UHFFFAOYSA-N
MW374.29 g/mol
LogP3.74
Rot. Bonds6

About 2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide

2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide (PubChem CID 164612298) has the molecular formula C16H17Cl2NO3S and a molecular weight of 374.29 g/mol. Its IUPAC name is 2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
PubChem CID164612298
Molecular FormulaC16H17Cl2NO3S
Molecular Weight374.29 g/mol
Exact Mass373.03
IUPAC Name2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESCCN(c1ccc(CCO)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2NO3S/c1-2-19(14-6-3-12(4-7-14)9-10-20)23(21,22)16-11-13(17)5-8-15(16)18/h3-8,11,20H,2,9-10H2,1H3
InChIKeyVFWHMHPQJLGUDC-UHFFFAOYSA-N
XLogP3.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-propan-2-yl-N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
CID 16045600
2,5-dichloro-N-propan-2-yl-N-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide
CID 60167981
2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide
CID 69491379
2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100506092
2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
CID 100506147
Ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate
CID 164616003
2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide
CID 164617931
2-[4-[(2,5-Dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid
CID 164611385
N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide
CID 164615238
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 164625013
2,5-dichloro-N-(4-(dimethylamino)phenethyl)benzenesulfonamide
CID 16890420
2,5-dichloro-N-(2,2,2-trifluoroethyl)-N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
CID 16045444

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide (CID 164612298) is 2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide is CCN(c1ccc(CCO)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The InChIKey is VFWHMHPQJLGUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3S/c1-2-19(14-6-3-12(4-7-14)9-10-20)23(21,22)16-11-13(17)5-8-15(16)18/h3-8,11,20H,2,9-10H2,1H3.
What are the key properties of 2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide has a molecular weight of 374.29 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 164612298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).