4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride

C14H24Cl2N2O2S — CID 11948725

IUPAC4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride
SMILESCC(C)N(CCNS(=O)(=O)c1ccc(Cl)cc1)C(C)C.Cl
InChIInChI=1S/C14H23ClN2O2S.ClH/c1-11(2)17(12(3)4)10-9-16-20(18,19)14-7-5-13(15)6-8-14;/h5-8,11-12,16H,9-10H2,1-4H3;1H
InChIKeyHHXFFVDZEZPREW-UHFFFAOYSA-N
MW355.33 g/mol
LogP3.16
Rot. Bonds7

About 4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride

4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 11948725) has the molecular formula C14H24Cl2N2O2S and a molecular weight of 355.33 g/mol. Its IUPAC name is 4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride
PubChem CID11948725
Molecular FormulaC14H24Cl2N2O2S
Molecular Weight355.33 g/mol
Exact Mass354.09
IUPAC Name4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride
SMILESCC(C)N(CCNS(=O)(=O)c1ccc(Cl)cc1)C(C)C.Cl
InChIInChI=1S/C14H23ClN2O2S.ClH/c1-11(2)17(12(3)4)10-9-16-20(18,19)14-7-5-13(15)6-8-14;/h5-8,11-12,16H,9-10H2,1-4H3;1H
InChIKeyHHXFFVDZEZPREW-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorobenzenesulfonyl)piperazine
CID 801806
RN1734
CID 3601086
4-Chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide
CID 2735724
1-(4-Chlorophenyl)sulfonyl-4-methylpiperazine
CID 754318
4-Chloro-N-methyl-N-(1-methyl-piperidin-4-yl)-benzenesulfonamide
CID 1129292
Benzenesulfonamide, p-chloro-N-(2-diethylaminoethyl)-
CID 208542
N,N-Dibutyl-4-chlorobenzenesulfonamide
CID 31385
N-Butyl-4-chlorobenzenesulfonamide
CID 101303
4-chloro-N-cycloheptylbenzenesulfonamide
CID 710424
4-Chloro-N-(4-methyl-piperazin-1-yl)-benzenesulfonamide
CID 785891
4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide
CID 2314574
4-chloro-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 4104699

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride (CID 11948725) is 4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride is CC(C)N(CCNS(=O)(=O)c1ccc(Cl)cc1)C(C)C.Cl.
What is the InChIKey of 4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is HHXFFVDZEZPREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S.ClH/c1-11(2)17(12(3)4)10-9-16-20(18,19)14-7-5-13(15)6-8-14;/h5-8,11-12,16H,9-10H2,1-4H3;1H.
What are the key properties of 4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride?
4-chloro-N-[2-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 355.33 g/mol, XLogP of 3.16, 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-[di(propan-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 11948725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).