N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride

C18H24ClN2O3S- — CID 53313632

IUPACN-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride
SMILESCc1ccc(N(CC(O)CN(C)C)S(=O)(=O)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C18H24N2O3S.ClH/c1-15-9-11-16(12-10-15)20(14-17(21)13-19(2)3)24(22,23)18-7-5-4-6-8-18;/h4-12,17,21H,13-14H2,1-3H3;1H/p-1
InChIKeyPDMGPUIUTBWLHA-UHFFFAOYSA-M
MW383.92 g/mol
LogP-0.88
Rot. Bonds7

About N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride

N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride (PubChem CID 53313632) has the molecular formula C18H24ClN2O3S- and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride
PubChem CID53313632
Molecular FormulaC18H24ClN2O3S-
Molecular Weight383.92 g/mol
Exact Mass383.12
IUPAC NameN-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride
SMILESCc1ccc(N(CC(O)CN(C)C)S(=O)(=O)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C18H24N2O3S.ClH/c1-15-9-11-16(12-10-15)20(14-17(21)13-19(2)3)24(22,23)18-7-5-4-6-8-18;/h4-12,17,21H,13-14H2,1-3H3;1H/p-1
InChIKeyPDMGPUIUTBWLHA-UHFFFAOYSA-M
XLogP-0.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 2884140
N-(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide chloride
CID 44657966
N-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1420558
N-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1415907
N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide
CID 4040881
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1320921
N-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1390099
N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3410388
N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 16801172
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1077008
N-[3-(dimethylamino)-2-hydroxypropyl]-N-(3-nitrophenyl)benzenesulfonamide
CID 3133112
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2884976

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride (CID 53313632) is N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride is Cc1ccc(N(CC(O)CN(C)C)S(=O)(=O)c2ccccc2)cc1.[Cl-].
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride?
The InChIKey is PDMGPUIUTBWLHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H24N2O3S.ClH/c1-15-9-11-16(12-10-15)20(14-17(21)13-19(2)3)24(22,23)18-7-5-4-6-8-18;/h4-12,17,21H,13-14H2,1-3H3;1H/p-1.
What are the key properties of N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride?
N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride has a molecular weight of 383.92 g/mol, XLogP of -0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride is sourced from PubChem (CID 53313632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).