3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide

C14H16ClN3O2S — CID 114378879

IUPAC3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)NC(C)c1ccncc1
InChIInChI=1S/C14H16ClN3O2S/c1-9-13(16)7-12(15)8-14(9)21(19,20)18-10(2)11-3-5-17-6-4-11/h3-8,10,18H,16H2,1-2H3
InChIKeyOVVHCZPETGRLNE-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.67
Rot. Bonds4

About 3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide

3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 114378879) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID114378879
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)NC(C)c1ccncc1
InChIInChI=1S/C14H16ClN3O2S/c1-9-13(16)7-12(15)8-14(9)21(19,20)18-10(2)11-3-5-17-6-4-11/h3-8,10,18H,16H2,1-2H3
InChIKeyOVVHCZPETGRLNE-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-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
5-amino-2,4-difluoro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523979
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 79885270
3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 114378688
5-amino-2-fluoro-3-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 80628123
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 114380051
3-amino-4-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 115421229
2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 45412910
3-amino-5-chloro-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 114379488
3-amino-5-chloro-2-methyl-N-(4-methylsulfinylbutan-2-yl)benzenesulfonamide
CID 114380242
3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208359

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide (CID 114378879) is 3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)NC(C)c1ccncc1.
What is the InChIKey of 3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is OVVHCZPETGRLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-9-13(16)7-12(15)8-14(9)21(19,20)18-10(2)11-3-5-17-6-4-11/h3-8,10,18H,16H2,1-2H3.
What are the key properties of 3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
3-amino-5-chloro-2-methyl-N-(1-pyridin-4-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-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 114378879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).