3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide

C14H22ClN3O2S — CID 106075428

IUPAC3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NN2CCCCC2)cc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-2-16-11-12-6-7-13(10-14(12)15)21(19,20)17-18-8-4-3-5-9-18/h6-7,10,16-17H,2-5,8-9,11H2,1H3
InChIKeyNDDHLHVSAIJWOM-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.13
Rot. Bonds6

About 3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide

3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide (PubChem CID 106075428) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide
PubChem CID106075428
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NN2CCCCC2)cc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-2-16-11-12-6-7-13(10-14(12)15)21(19,20)17-18-8-4-3-5-9-18/h6-7,10,16-17H,2-5,8-9,11H2,1H3
InChIKeyNDDHLHVSAIJWOM-UHFFFAOYSA-N
XLogP2.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 106075759
N-tert-butyl-3-chloro-4-(ethylaminomethyl)benzenesulfonamide
CID 107091310
3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
CID 107091695
N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106075384
3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 107091649
N-[[2-chloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methyl]ethanamine
CID 107091719
3-chloro-4-(ethylaminomethyl)-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077984
3-chloro-4-(ethylaminomethyl)-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 106083430
3-chloro-4-(ethylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 107091503
4-chloro-3-nitro-N-piperidin-1-ylbenzenesulfonamide
CID 83014231
5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide
CID 106075371
2-chloro-N-piperidin-1-ylquinoline-6-sulfonamide
CID 83017406

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide (CID 106075428) is 3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide is CCNCc1ccc(S(=O)(=O)NN2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide?
The InChIKey is NDDHLHVSAIJWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-2-16-11-12-6-7-13(10-14(12)15)21(19,20)17-18-8-4-3-5-9-18/h6-7,10,16-17H,2-5,8-9,11H2,1H3.
What are the key properties of 3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide?
3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 106075428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).