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

C12H18ClN3O2S — CID 43373446

IUPAC4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-16-6-4-10(5-7-16)15-19(17,18)12-3-2-9(14)8-11(12)13/h2-3,8,10,15H,4-7,14H2,1H3
InChIKeyAGZUKJISUPQGEK-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.29
Rot. Bonds3

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

4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 43373446) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID43373446
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-16-6-4-10(5-7-16)15-19(17,18)12-3-2-9(14)8-11(12)13/h2-3,8,10,15H,4-7,14H2,1H3
InChIKeyAGZUKJISUPQGEK-UHFFFAOYSA-N
XLogP1.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.29
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

4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514907
4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113474918
4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83013225
5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025172
4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 22772557
2-amino-4-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 64900205
2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide
CID 32681639
4-amino-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61300929
4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79861627
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 55204348

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 43373446) is 4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(NS(=O)(=O)c2ccc(N)cc2Cl)CC1.
What is the InChIKey of 4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is AGZUKJISUPQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-16-6-4-10(5-7-16)15-19(17,18)12-3-2-9(14)8-11(12)13/h2-3,8,10,15H,4-7,14H2,1H3.
What are the key properties of 4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 1.29, 3 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-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 43373446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).