N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide

C17H20Cl2N2O3S — CID 3806054

IUPACN-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide
SMILESCN(C)CC(O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20Cl2N2O3S/c1-20(2)11-14(22)12-21(17-10-13(18)8-9-16(17)19)25(23,24)15-6-4-3-5-7-15/h3-10,14,22H,11-12H2,1-2H3
InChIKeyLIHDYPZAJXATFM-UHFFFAOYSA-N
MW403.33 g/mol
LogP3.11
Rot. Bonds7

About N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide

N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 3806054) has the molecular formula C17H20Cl2N2O3S and a molecular weight of 403.33 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide
PubChem CID3806054
Molecular FormulaC17H20Cl2N2O3S
Molecular Weight403.33 g/mol
Exact Mass402.06
IUPAC NameN-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide
SMILESCN(C)CC(O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20Cl2N2O3S/c1-20(2)11-14(22)12-21(17-10-13(18)8-9-16(17)19)25(23,24)15-6-4-3-5-7-15/h3-10,14,22H,11-12H2,1-2H3
InChIKeyLIHDYPZAJXATFM-UHFFFAOYSA-N
XLogP3.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate
CID 8705400
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide
CID 2221414
N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-4-methylbenzenesulfonamide chloride
CID 44654829
N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride
CID 53313632
N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methylbenzenesulfonamide
CID 2884063
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 5203198
2-[benzenesulfonyl(2-methylpropyl)amino]-5-chlorobenzoyl chloride
CID 91353524
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
CID 126415552
N-[3-(dimethylamino)-2-hydroxypropyl]-N-(3-nitrophenyl)benzenesulfonamide
CID 3133112
3-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50892666
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetic acid
CID 872896
(2R)-2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]-benzylamino]-N-methylpropanamide
CID 100566439

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide (CID 3806054) is N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide is CN(C)CC(O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is LIHDYPZAJXATFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3S/c1-20(2)11-14(22)12-21(17-10-13(18)8-9-16(17)19)25(23,24)15-6-4-3-5-7-15/h3-10,14,22H,11-12H2,1-2H3.
What are the key properties of N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide?
N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 403.33 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 3806054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).