N-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride

C18H25ClN2O3S — CID 6603011

IUPACN-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(CC(O)CN(C)C)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-15-9-11-18(12-10-15)24(22,23)20(14-17(21)13-19(2)3)16-7-5-4-6-8-16;/h4-12,17,21H,13-14H2,1-3H3;1H
InChIKeyMSNWLXMXXVVQIY-UHFFFAOYSA-N
MW384.93 g/mol
LogP2.53
Rot. Bonds7

About N-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride

N-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride (PubChem CID 6603011) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride
PubChem CID6603011
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC NameN-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(CC(O)CN(C)C)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-15-9-11-18(12-10-15)24(22,23)20(14-17(21)13-19(2)3)16-7-5-4-6-8-16;/h4-12,17,21H,13-14H2,1-3H3;1H
InChIKeyMSNWLXMXXVVQIY-UHFFFAOYSA-N
XLogP2.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride (CID 6603011) is N-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)N(CC(O)CN(C)C)c2ccccc2)cc1.Cl.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride?
The InChIKey is MSNWLXMXXVVQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S.ClH/c1-15-9-11-18(12-10-15)24(22,23)20(14-17(21)13-19(2)3)16-7-5-4-6-8-16;/h4-12,17,21H,13-14H2,1-3H3;1H.
What are the key properties of N-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride?
N-[3-(dimethylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride has a molecular weight of 384.93 g/mol, XLogP of 2.53, 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]-4-methyl-N-phenylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 6603011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).