3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide

C17H21ClN4O2S — CID 113011100

IUPAC3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESCCN1CCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cn2)CC1
InChIInChI=1S/C17H21ClN4O2S/c1-2-21-8-10-22(11-9-21)17-7-6-15(13-19-17)20-25(23,24)16-5-3-4-14(18)12-16/h3-7,12-13,20H,2,8-11H2,1H3
InChIKeyGRVCOVPNVAZWEH-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.68
Rot. Bonds5

About 3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide

3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 113011100) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID113011100
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC Name3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESCCN1CCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cn2)CC1
InChIInChI=1S/C17H21ClN4O2S/c1-2-21-8-10-22(11-9-21)17-7-6-15(13-19-17)20-25(23,24)16-5-3-4-14(18)12-16/h3-7,12-13,20H,2,8-11H2,1H3
InChIKeyGRVCOVPNVAZWEH-UHFFFAOYSA-N
XLogP2.68
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 42857846
3,5-dichloro-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
CID 25044149
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 42850219
4-ethyl-N-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide;hydrochloride
CID 69172168
3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 55735225
3-chloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576153
4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
CID 46054096
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113009843
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chlorobenzenesulfonamide
CID 110369727
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011184
3-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 41006242

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide (CID 113011100) is 3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide is CCN1CCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cn2)CC1.
What is the InChIKey of 3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is GRVCOVPNVAZWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S/c1-2-21-8-10-22(11-9-21)17-7-6-15(13-19-17)20-25(23,24)16-5-3-4-14(18)12-16/h3-7,12-13,20H,2,8-11H2,1H3.
What are the key properties of 3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113011100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).