2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide

C10H13Cl2NO3S — CID 55060829

IUPAC2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO3S/c1-7(14)6-13(2)17(15,16)9-5-3-4-8(11)10(9)12/h3-5,7,14H,6H2,1-2H3
InChIKeyURJUGBWVPFVHHO-UHFFFAOYSA-N
MW298.19 g/mol
LogP1.99
Rot. Bonds4

About 2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide

2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide (PubChem CID 55060829) has the molecular formula C10H13Cl2NO3S and a molecular weight of 298.19 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
PubChem CID55060829
Molecular FormulaC10H13Cl2NO3S
Molecular Weight298.19 g/mol
Exact Mass297.00
IUPAC Name2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO3S/c1-7(14)6-13(2)17(15,16)9-5-3-4-8(11)10(9)12/h3-5,7,14H,6H2,1-2H3
InChIKeyURJUGBWVPFVHHO-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
CID 115902788
2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide
CID 136534263
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2439982
2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid
CID 69321042
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
3-[(2,3-dichlorophenyl)sulfonyl-ethylamino]butanoic acid
CID 62827080
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007
2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271143
2,3-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967368

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide (CID 55060829) is 2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide is CC(O)CN(C)S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is URJUGBWVPFVHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO3S/c1-7(14)6-13(2)17(15,16)9-5-3-4-8(11)10(9)12/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 298.19 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 55060829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).