4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride

C12H20Cl2N2O2S — CID 2998823

IUPAC4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1.[Cl-].[H+]
InChIInChI=1S/C12H19ClN2O2S.ClH/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12;/h5-8,14H,3-4,9-10H2,1-2H3;1H
InChIKeyUJCUNQVYPAUGQR-UHFFFAOYSA-N
MW327.28 g/mol
LogP-0.92
Rot. Bonds7

About 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride

4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride (PubChem CID 2998823) has the molecular formula C12H20Cl2N2O2S and a molecular weight of 327.28 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride.

Molecular Properties

Compound Name4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
PubChem CID2998823
Molecular FormulaC12H20Cl2N2O2S
Molecular Weight327.28 g/mol
Exact Mass326.06
IUPAC Name4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1.[Cl-].[H+]
InChIInChI=1S/C12H19ClN2O2S.ClH/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12;/h5-8,14H,3-4,9-10H2,1-2H3;1H
InChIKeyUJCUNQVYPAUGQR-UHFFFAOYSA-N
XLogP-0.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463
3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 8716582
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 110454407
4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106034374
N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106034867
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582
N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 113052721

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride?
The IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride (CID 2998823) is 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride.
What is the SMILES notation for 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride?
The canonical SMILES for 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride is CCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1.[Cl-].[H+].
What is the InChIKey of 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride?
The InChIKey is UJCUNQVYPAUGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S.ClH/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12;/h5-8,14H,3-4,9-10H2,1-2H3;1H.
What are the key properties of 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride?
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride has a molecular weight of 327.28 g/mol, XLogP of -0.92, 7 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)ethyl]benzenesulfonamide;hydron;chloride is sourced from PubChem (CID 2998823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).