4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide

C13H20ClN3O2S — CID 115329954

IUPAC4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide
SMILESCN1CCCCC1CNS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H20ClN3O2S/c1-17-7-3-2-4-10(17)9-16-20(18,19)11-5-6-13(15)12(14)8-11/h5-6,8,10,16H,2-4,7,9,15H2,1H3
InChIKeyZNIFIZYXDNNUNS-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.68
Rot. Bonds4

About 4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide

4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide (PubChem CID 115329954) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide
PubChem CID115329954
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide
SMILESCN1CCCCC1CNS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H20ClN3O2S/c1-17-7-3-2-4-10(17)9-16-20(18,19)11-5-6-13(15)12(14)8-11/h5-6,8,10,16H,2-4,7,9,15H2,1H3
InChIKeyZNIFIZYXDNNUNS-UHFFFAOYSA-N
XLogP1.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.68
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

3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106094827
3-amino-4-fluoro-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 115421493
5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
CID 106028482
2-chloro-4-(2-ethylazepan-1-yl)sulfonylaniline
CID 104690556
4-fluoro-3-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022558
4-cyano-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106833161
4-amino-3-chloro-N-prop-2-ynylbenzenesulfonamide
CID 115329264
4-(2-hydroxyethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022553
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide
CID 22500529
3-amino-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303402
1-(3-aminopropyl)-N-[(1-methylpiperidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106051046

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide (CID 115329954) is 4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide is CN1CCCCC1CNS(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is ZNIFIZYXDNNUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-17-7-3-2-4-10(17)9-16-20(18,19)11-5-6-13(15)12(14)8-11/h5-6,8,10,16H,2-4,7,9,15H2,1H3.
What are the key properties of 4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide?
4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 115329954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).