4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide

C18H23ClN2O2S — CID 2948598

IUPAC4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H23ClN2O2S/c1-3-21(4-2)18(15-8-6-5-7-9-15)14-20-24(22,23)17-12-10-16(19)11-13-17/h5-13,18,20H,3-4,14H2,1-2H3
InChIKeyPCRMKKMKFBAEKN-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.70
Rot. Bonds8

About 4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide

4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide (PubChem CID 2948598) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide
PubChem CID2948598
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H23ClN2O2S/c1-3-21(4-2)18(15-8-6-5-7-9-15)14-20-24(22,23)17-12-10-16(19)11-13-17/h5-13,18,20H,3-4,14H2,1-2H3
InChIKeyPCRMKKMKFBAEKN-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide (CID 2948598) is 4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide is CCN(CC)C(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide?
The InChIKey is PCRMKKMKFBAEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-3-21(4-2)18(15-8-6-5-7-9-15)14-20-24(22,23)17-12-10-16(19)11-13-17/h5-13,18,20H,3-4,14H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide?
4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide has a molecular weight of 366.91 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 2948598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).