4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide

C14H22ClN3O2S — CID 114514907

IUPAC4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
SMILESCN1CCC(CCNS(=O)(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-18-8-5-11(6-9-18)4-7-17-21(19,20)14-3-2-12(16)10-13(14)15/h2-3,10-11,17H,4-9,16H2,1H3
InChIKeyMXCQTJHQDNJWPQ-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.93
Rot. Bonds5

About 4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide

4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide (PubChem CID 114514907) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
PubChem CID114514907
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
SMILESCN1CCC(CCNS(=O)(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-18-8-5-11(6-9-18)4-7-17-21(19,20)14-3-2-12(16)10-13(14)15/h2-3,10-11,17H,4-9,16H2,1H3
InChIKeyMXCQTJHQDNJWPQ-UHFFFAOYSA-N
XLogP1.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 50875284
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446
4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83013225
4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 63314929
4-amino-3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514910
5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide
CID 114516893
4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine
CID 114514955
4-amino-2-chloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726955
5-(aminomethyl)-2-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082684
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680
2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514867
5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 114516569

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide (CID 114514907) is 4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide is CN1CCC(CCNS(=O)(=O)c2ccc(N)cc2Cl)CC1.
What is the InChIKey of 4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is MXCQTJHQDNJWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-18-8-5-11(6-9-18)4-7-17-21(19,20)14-3-2-12(16)10-13(14)15/h2-3,10-11,17H,4-9,16H2,1H3.
What are the key properties of 4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide?
4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 114514907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).