N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide

C17H21ClN2O3S — CID 11617608

IUPACN-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide
SMILESCN(C)CCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H21ClN2O3S/c1-20(2)12-3-13-23-16-8-10-17(11-9-16)24(21,22)19-15-6-4-14(18)5-7-15/h4-11,19H,3,12-13H2,1-2H3
InChIKeyJIRPSFHZYRYTRZ-UHFFFAOYSA-N
MW368.89 g/mol
LogP3.47
Rot. Bonds8

About N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide

N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide (PubChem CID 11617608) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide
PubChem CID11617608
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC NameN-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide
SMILESCN(C)CCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H21ClN2O3S/c1-20(2)12-3-13-23-16-8-10-17(11-9-16)24(21,22)19-15-6-4-14(18)5-7-15/h4-11,19H,3,12-13H2,1-2H3
InChIKeyJIRPSFHZYRYTRZ-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
4-[3-(dimethylamino)propoxy]benzenesulfonyl chloride;hydrochloride
CID 87727140
2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 68687829
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-ethylacetamide
CID 4238795
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide
CID 10188202
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
[2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetyl] 2-[2-[2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetate
CID 90904973
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide
CID 126392224

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide (CID 11617608) is N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide is CN(C)CCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide?
The InChIKey is JIRPSFHZYRYTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-20(2)12-3-13-23-16-8-10-17(11-9-16)24(21,22)19-15-6-4-14(18)5-7-15/h4-11,19H,3,12-13H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide?
N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide has a molecular weight of 368.89 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide is sourced from PubChem (CID 11617608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).