3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide

C14H16ClN3O2S — CID 43523626

IUPAC3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NC(C)c2cccnc2)cc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-9-13(15)6-12(7-14(9)16)21(19,20)18-10(2)11-4-3-5-17-8-11/h3-8,10,18H,16H2,1-2H3
InChIKeyIMRWDFJTAHCRMW-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.67
Rot. Bonds4

About 3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide

3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 43523626) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID43523626
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NC(C)c2cccnc2)cc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-9-13(15)6-12(7-14(9)16)21(19,20)18-10(2)11-4-3-5-17-8-11/h3-8,10,18H,16H2,1-2H3
InChIKeyIMRWDFJTAHCRMW-UHFFFAOYSA-N
XLogP2.67
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.67
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-3-chloro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 115329699
3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 79885270
3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524314
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide
CID 92520306
3-amino-5-chloro-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 104827361
3-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523805
5-(methylaminomethyl)-N-(1-pyridin-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106021006
3-amino-5-chloro-N-(1-cyclopropylethyl)-4-methylbenzenesulfonamide
CID 43533143

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide (CID 43523626) is 3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NC(C)c2cccnc2)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is IMRWDFJTAHCRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-9-13(15)6-12(7-14(9)16)21(19,20)18-10(2)11-4-3-5-17-8-11/h3-8,10,18H,16H2,1-2H3.
What are the key properties of 3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43523626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).