N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide

C14H24N2O3S — CID 39423648

IUPACN-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(CCCO)cc1
InChIInChI=1S/C14H24N2O3S/c1-16(2)11-4-10-15-20(18,19)14-8-6-13(7-9-14)5-3-12-17/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyMGKNGCZGLNTADA-UHFFFAOYSA-N
MW300.42 g/mol
LogP0.84
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide

N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 39423648) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide
PubChem CID39423648
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(CCCO)cc1
InChIInChI=1S/C14H24N2O3S/c1-16(2)11-4-10-15-20(18,19)14-8-6-13(7-9-14)5-3-12-17/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyMGKNGCZGLNTADA-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Benzenesulfonamide, N-(3-(dimethylamino)propyl)-4-methyl-
CID 202375
N-(2-Hydroxyethyl)-4-methylbenzenesulfonamide
CID 1895595
(S)-(-)-N-(1-(Hydroxymethyl)-2-phenylethyl)-4-methylbenzenesulfonamide
CID 688331
N-(1-(Hydroxymethyl)propyl)-4-methylbenzenesulfonamide
CID 3692570
4-(5-Hydroxypentyl)benzene-1-sulfonamide
CID 15707362
N-(2-Amino-acetyl)-4-(2-hydroxy-ethyl)-benzenesulfonamide
CID 44347455
4-(2-Hydroxy-ethyl)-N-(2-methylamino-acetyl)-benzenesulfonamide
CID 44347889
p-Toluenesulfonamide, N-(3-diethylaminopropyl)-
CID 208541
N-(3-Dimethylamino-propyl)-4-methyl-benzenesulfonamide
CID 6603144
(2S)-3-methyl-2-(p-tolylsulfonylamino)butanol
CID 10106521
N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide
CID 11085574
(S)-2-[[(4-methylphenyl)sulfonyl]amino]-1-hexanol
CID 44575064

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide (CID 39423648) is N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide is CN(C)CCCNS(=O)(=O)c1ccc(CCCO)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is MGKNGCZGLNTADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-16(2)11-4-10-15-20(18,19)14-8-6-13(7-9-14)5-3-12-17/h6-9,15,17H,3-5,10-12H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide?
N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 39423648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).