3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

C14H22ClN3O2S — CID 56806980

IUPAC3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cccc(Cl)c1)N1CCN(C)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-12(18-8-6-17(2)7-9-18)11-16-21(19,20)14-5-3-4-13(15)10-14/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyPRZXGZLWKZUMQB-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.25
Rot. Bonds5

About 3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 56806980) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID56806980
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cccc(Cl)c1)N1CCN(C)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-12(18-8-6-17(2)7-9-18)11-16-21(19,20)14-5-3-4-13(15)10-14/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyPRZXGZLWKZUMQB-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 801806
CID 801806
CID 3601086
CID 3601086
CID 2735724
CID 2735724
CID 754318
CID 754318
CID 1129292
CID 1129292
CID 208542
CID 208542
CID 785891
CID 785891
CID 2314574
CID 2314574
CID 4877012
CID 4877012
CID 56806978
CID 56806978
CID 3734885
CID 3734885
CID 768502
CID 768502

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (CID 56806980) is 3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is CC(CNS(=O)(=O)c1cccc(Cl)c1)N1CCN(C)CC1.
What is the InChIKey of 3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is PRZXGZLWKZUMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-12(18-8-6-17(2)7-9-18)11-16-21(19,20)14-5-3-4-13(15)10-14/h3-5,10,12,16H,6-9,11H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 56806980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).