N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide

C21H23ClN2O2S — CID 11516957

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide
SMILESCN(C)CCC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2S/c1-24(2)14-13-21(17-7-10-19(22)11-8-17)23-27(25,26)20-12-9-16-5-3-4-6-18(16)15-20/h3-12,15,21,23H,13-14H2,1-2H3
InChIKeyDCQXVAIJRFQZJG-UHFFFAOYSA-N
MW402.95 g/mol
LogP4.46
Rot. Bonds7

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide (PubChem CID 11516957) has the molecular formula C21H23ClN2O2S and a molecular weight of 402.95 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide
PubChem CID11516957
Molecular FormulaC21H23ClN2O2S
Molecular Weight402.95 g/mol
Exact Mass402.12
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide
SMILESCN(C)CCC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2S/c1-24(2)14-13-21(17-7-10-19(22)11-8-17)23-27(25,26)20-12-9-16-5-3-4-6-18(16)15-20/h3-12,15,21,23H,13-14H2,1-2H3
InChIKeyDCQXVAIJRFQZJG-UHFFFAOYSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide (CID 11516957) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide is CN(C)CCC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide?
The InChIKey is DCQXVAIJRFQZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2S/c1-24(2)14-13-21(17-7-10-19(22)11-8-17)23-27(25,26)20-12-9-16-5-3-4-6-18(16)15-20/h3-12,15,21,23H,13-14H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide has a molecular weight of 402.95 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 11516957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).