2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide

C15H14Cl3NO3S — CID 164625013

IUPAC2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1N(CCO)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NO3S/c1-10-8-11(16)3-5-14(10)19(6-7-20)23(21,22)15-9-12(17)2-4-13(15)18/h2-5,8-9,20H,6-7H2,1H3
InChIKeyZGTVGYHVMNQOTG-UHFFFAOYSA-N
MW394.71 g/mol
LogP4.14
Rot. Bonds5

About 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide

2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 164625013) has the molecular formula C15H14Cl3NO3S and a molecular weight of 394.71 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID164625013
Molecular FormulaC15H14Cl3NO3S
Molecular Weight394.71 g/mol
Exact Mass392.98
IUPAC Name2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1N(CCO)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NO3S/c1-10-8-11(16)3-5-14(10)19(6-7-20)23(21,22)15-9-12(17)2-4-13(15)18/h2-5,8-9,20H,6-7H2,1H3
InChIKeyZGTVGYHVMNQOTG-UHFFFAOYSA-N
XLogP4.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.71
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 796394
2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100506092
2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
CID 100506147
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide
CID 100507726
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507739
2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide
CID 164614626
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 164615534
2,5-dichloro-N-(2-methylphenyl)-N-prop-2-ynylbenzenesulfonamide
CID 164619617
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-ynylbenzenesulfonamide
CID 164619852
2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide
CID 164621982
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 164612765
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(difluoromethyl)benzenesulfonamide
CID 164614429

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide (CID 164625013) is 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide is Cc1cc(Cl)ccc1N(CCO)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is ZGTVGYHVMNQOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO3S/c1-10-8-11(16)3-5-14(10)19(6-7-20)23(21,22)15-9-12(17)2-4-13(15)18/h2-5,8-9,20H,6-7H2,1H3.
What are the key properties of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide?
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 394.71 g/mol, XLogP of 4.14, 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-(4-chloro-2-methylphenyl)-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 164625013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).